AA49082
1365272-76-9 | 3-(2-Cyanophenyl)-N-ethylbenzamide
Manufacturer: A2B Chem
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CatalogNumber
AA49082
ChemicalName
3-(2-Cyanophenyl)-N-ethylbenzamide
CasNumber
1365272-76-9
MolecularFormula
C16H14N2O
MolecularWeight
250.2952
MdlNumber
MFCD21609622
Smiles
CCNC(=O)c1cccc(c1)c1ccccc1C#N
Complexity
357
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.9
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CatalogNumber: AA49082
ChemicalName: 3-(2-Cyanophenyl)-N-ethylbenzamide
CasNumber: 1365272-76-9
MolecularFormula: C16H14N2O
MolecularWeight: 250.2952
MdlNumber: MFCD21609622
Smiles: CCNC(=O)c1cccc(c1)c1ccccc1C#N
Complexity: 357
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AA49082
ChemicalName:
3-(2-Cyanophenyl)-N-ethylbenzamide
CasNumber:
1365272-76-9
MolecularFormula:
C16H14N2O
MolecularWeight:
250.2952
MdlNumber:
MFCD21609622
Smiles:
CCNC(=O)c1cccc(c1)c1ccccc1C#N
Complexity:
357
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.9
CatalogNumber: AA49083
ChemicalName: 2-[4-Fluoro-3-(trifluoromethyl)phenyl]benzonitrile
CasNumber: 1365272-74-7
MolecularFormula: C14H7F4N
MolecularWeight: 265.2057
MdlNumber: MFCD21609616
Smiles: N#Cc1ccccc1c1ccc(c(c1)C(F)(F)F)F
Complexity: 356
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 4.3
CatalogNumber:
AA49083
ChemicalName:
2-[4-Fluoro-3-(trifluoromethyl)phenyl]benzonitrile
CasNumber:
1365272-74-7
MolecularFormula:
C14H7F4N
MolecularWeight:
265.2057
MdlNumber:
MFCD21609616
Smiles:
N#Cc1ccccc1c1ccc(c(c1)C(F)(F)F)F
Complexity:
356
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
4.3
CatalogNumber: AA49084
ChemicalName: 3-(3-Fluoro-5-methoxyphenyl)benzonitrile
CasNumber: 1365272-73-6
MolecularFormula: C14H10FNO
MolecularWeight: 227.2337
MdlNumber: MFCD21609596
Smiles: COc1cc(F)cc(c1)c1cccc(c1)C#N
Complexity: 298
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AA49084
ChemicalName:
3-(3-Fluoro-5-methoxyphenyl)benzonitrile
CasNumber:
1365272-73-6
MolecularFormula:
C14H10FNO
MolecularWeight:
227.2337
MdlNumber:
MFCD21609596
Smiles:
COc1cc(F)cc(c1)c1cccc(c1)C#N
Complexity:
298
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)Cc1ccc(cc1)c1ccc(c(c1)F)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cc1ccc(cc1)c1ccc(c(c1)F)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__