AA49051
1365272-53-2 | N-[(4-Cyanophenyl)(4-fluorophenyl)methyl]acetamide
Manufacturer: A2B Chem
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CatalogNumber
AA49051
ChemicalName
N-[(4-Cyanophenyl)(4-fluorophenyl)methyl]acetamide
CasNumber
1365272-53-2
MolecularFormula
C16H13FN2O
MolecularWeight
268.2856
MdlNumber
MFCD21609716
Smiles
N#Cc1ccc(cc1)C(c1ccc(cc1)F)NC(=O)C
Complexity
373
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2.5
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CatalogNumber: AA49051
ChemicalName: N-[(4-Cyanophenyl)(4-fluorophenyl)methyl]acetamide
CasNumber: 1365272-53-2
MolecularFormula: C16H13FN2O
MolecularWeight: 268.2856
MdlNumber: MFCD21609716
Smiles: N#Cc1ccc(cc1)C(c1ccc(cc1)F)NC(=O)C
Complexity: 373
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.5
CatalogNumber:
AA49051
ChemicalName:
N-[(4-Cyanophenyl)(4-fluorophenyl)methyl]acetamide
CasNumber:
1365272-53-2
MolecularFormula:
C16H13FN2O
MolecularWeight:
268.2856
MdlNumber:
MFCD21609716
Smiles:
N#Cc1ccc(cc1)C(c1ccc(cc1)F)NC(=O)C
Complexity:
373
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.5
CatalogNumber: AA49052
ChemicalName: 4-Bromo-N-cyclohexyl-5-methoxy-2-nitroaniline
CasNumber: 1365272-51-0
MolecularFormula: C13H17BrN2O3
MolecularWeight: 329.1897
MdlNumber: MFCD21609503
Smiles: COc1cc(NC2CCCCC2)c(cc1Br)[N+](=O)[O-]
Complexity: 305
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 4.8
CatalogNumber:
AA49052
ChemicalName:
4-Bromo-N-cyclohexyl-5-methoxy-2-nitroaniline
CasNumber:
1365272-51-0
MolecularFormula:
C13H17BrN2O3
MolecularWeight:
329.1897
MdlNumber:
MFCD21609503
Smiles:
COc1cc(NC2CCCCC2)c(cc1Br)[N+](=O)[O-]
Complexity:
305
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
4.8
CatalogNumber: AA49053
ChemicalName: 4-Bromo-N-cyclopentyl-5-fluoro-2-nitroaniline
CasNumber: 1365272-50-9
MolecularFormula: C11H12BrFN2O2
MolecularWeight: 303.1276
MdlNumber: MFCD21609496
Smiles: Fc1cc(NC2CCCC2)c(cc1Br)[N+](=O)[O-]
Complexity: 281
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 4.3
CatalogNumber:
AA49053
ChemicalName:
4-Bromo-N-cyclopentyl-5-fluoro-2-nitroaniline
CasNumber:
1365272-50-9
MolecularFormula:
C11H12BrFN2O2
MolecularWeight:
303.1276
MdlNumber:
MFCD21609496
Smiles:
Fc1cc(NC2CCCC2)c(cc1Br)[N+](=O)[O-]
Complexity:
281
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
4.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc(cc1)C(c1ccc(cc1)Br)NC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc(cc1)C(c1ccc(cc1)Br)NC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__