AA50538
1373233-33-0 | 3-(2-Cyanophenyl)-N-cyclopropylbenzamide
Manufacturer: A2B Chem
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CatalogNumber
AA50538
ChemicalName
3-(2-Cyanophenyl)-N-cyclopropylbenzamide
CasNumber
1373233-33-0
MolecularFormula
C17H14N2O
MolecularWeight
262.3059
MdlNumber
MFCD22192478
Smiles
N#Cc1ccccc1c1cccc(c1)C(=O)NC1CC1
Complexity
407
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.1
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CatalogNumber: AA50538
ChemicalName: 3-(2-Cyanophenyl)-N-cyclopropylbenzamide
CasNumber: 1373233-33-0
MolecularFormula: C17H14N2O
MolecularWeight: 262.3059
MdlNumber: MFCD22192478
Smiles: N#Cc1ccccc1c1cccc(c1)C(=O)NC1CC1
Complexity: 407
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AA50538
ChemicalName:
3-(2-Cyanophenyl)-N-cyclopropylbenzamide
CasNumber:
1373233-33-0
MolecularFormula:
C17H14N2O
MolecularWeight:
262.3059
MdlNumber:
MFCD22192478
Smiles:
N#Cc1ccccc1c1cccc(c1)C(=O)NC1CC1
Complexity:
407
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(c(c1Br)F)Cl
Complexity: 122
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(c(c1Br)F)Cl
Complexity:
122
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCS(=O)(=O)c1cccc(c1)NC(=O)OC(C)(C)C
Complexity: 405
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCS(=O)(=O)c1cccc(c1)NC(=O)OC(C)(C)C
Complexity:
405
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CC(C1)COCc1ccccc1)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CC(C1)COCc1ccccc1)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__