N-(4-chlorophenyl)-2-phenyl-3H-1,5-benzodiazepine-4-carboxamide

C22H16ClN3O — CID 12026804

IUPACN-(4-chlorophenyl)-2-phenyl-3H-1,5-benzodiazepine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1=Nc2ccccc2N=C(c2ccccc2)C1
InChIInChI=1S/C22H16ClN3O/c23-16-10-12-17(13-11-16)24-22(27)21-14-20(15-6-2-1-3-7-15)25-18-8-4-5-9-19(18)26-21/h1-13H,14H2,(H,24,27)
InChIKeyHFGGDKHXBJPSRD-UHFFFAOYSA-N
MW373.84 g/mol
LogP5.58
Rot. Bonds3

About N-(4-chlorophenyl)-2-phenyl-3H-1,5-benzodiazepine-4-carboxamide

N-(4-chlorophenyl)-2-phenyl-3H-1,5-benzodiazepine-4-carboxamide (PubChem CID 12026804) has the molecular formula C22H16ClN3O and a molecular weight of 373.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-phenyl-3H-1,5-benzodiazepine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-phenyl-3H-1,5-benzodiazepine-4-carboxamide
PubChem CID12026804
Molecular FormulaC22H16ClN3O
Molecular Weight373.84 g/mol
Exact Mass373.10
IUPAC NameN-(4-chlorophenyl)-2-phenyl-3H-1,5-benzodiazepine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1=Nc2ccccc2N=C(c2ccccc2)C1
InChIInChI=1S/C22H16ClN3O/c23-16-10-12-17(13-11-16)24-22(27)21-14-20(15-6-2-1-3-7-15)25-18-8-4-5-9-19(18)26-21/h1-13H,14H2,(H,24,27)
InChIKeyHFGGDKHXBJPSRD-UHFFFAOYSA-N
XLogP5.58
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chlorophenyl)-2-phenyl-3H-1,5-benzodiazepine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
(2R)-N,4-bis(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxamide
CID 27331968
N-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
CID 46342411
N-(4-chlorophenyl)-4-phenylthiadiazole-5-carboxamide
CID 2767935
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
2,6-diamino-N-(4-chlorophenyl)-5-phenylpyrimidine-4-carboxamide
CID 51059742
N-(4-chlorophenyl)pyrimidine-2-carboxamide
CID 56724074
N-(4-chlorophenyl)-2,5-diphenyltriazole-4-carboxamide
CID 134912462
3-(4-methylphenyl)-N-(2-phenyl-3H-indol-6-yl)propanamide
CID 153469815
benzamide;1-chloro-4-methylbenzene;methane;N-(4-methylphenyl)benzamide
CID 158954250
N-(5-chloro-2-methoxyphenyl)-2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)sulfanyl]acetamide
CID 53043236

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-phenyl-3H-1,5-benzodiazepine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-phenyl-3H-1,5-benzodiazepine-4-carboxamide (CID 12026804) is N-(4-chlorophenyl)-2-phenyl-3H-1,5-benzodiazepine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-phenyl-3H-1,5-benzodiazepine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-phenyl-3H-1,5-benzodiazepine-4-carboxamide is O=C(Nc1ccc(Cl)cc1)C1=Nc2ccccc2N=C(c2ccccc2)C1.
What is the InChIKey of N-(4-chlorophenyl)-2-phenyl-3H-1,5-benzodiazepine-4-carboxamide?
The InChIKey is HFGGDKHXBJPSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O/c23-16-10-12-17(13-11-16)24-22(27)21-14-20(15-6-2-1-3-7-15)25-18-8-4-5-9-19(18)26-21/h1-13H,14H2,(H,24,27).
What are the key properties of N-(4-chlorophenyl)-2-phenyl-3H-1,5-benzodiazepine-4-carboxamide?
N-(4-chlorophenyl)-2-phenyl-3H-1,5-benzodiazepine-4-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-phenyl-3H-1,5-benzodiazepine-4-carboxamide is sourced from PubChem (CID 12026804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).