(2R)-N-(3-chlorophenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanamide

C25H22ClN3O2 — CID 92734517

IUPAC(2R)-N-(3-chlorophenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanamide
SMILESCC[C@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)CN=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C25H22ClN3O2/c1-2-21(25(31)28-19-12-8-11-18(26)15-19)29-22-14-7-6-13-20(22)24(27-16-23(29)30)17-9-4-3-5-10-17/h3-15,21H,2,16H2,1H3,(H,28,31)/t21-/m1/s1
InChIKeyWJCRVUOKGBZTIK-OAQYLSRUSA-N
MW431.92 g/mol
LogP4.94
Rot. Bonds5

About (2R)-N-(3-chlorophenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanamide

(2R)-N-(3-chlorophenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanamide (PubChem CID 92734517) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is (2R)-N-(3-chlorophenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanamide.

Molecular Properties

Compound Name(2R)-N-(3-chlorophenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanamide
PubChem CID92734517
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC Name(2R)-N-(3-chlorophenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanamide
SMILESCC[C@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)CN=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C25H22ClN3O2/c1-2-21(25(31)28-19-12-8-11-18(26)15-19)29-22-14-7-6-13-20(22)24(27-16-23(29)30)17-9-4-3-5-10-17/h3-15,21H,2,16H2,1H3,(H,28,31)/t21-/m1/s1
InChIKeyWJCRVUOKGBZTIK-OAQYLSRUSA-N
XLogP4.94
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(3-chlorophenyl)butanamide
CID 20854347
1-[(3-chlorophenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 15993697
(2S)-N-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 1112281
7-chloro-5-phenyl-1-(1-phenylethyl)-3H-1,4-benzodiazepin-2-one
CID 5252241
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
[1-(3-chloroanilino)-1-oxobutan-2-yl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate
CID 23832070
1-[1-(3-chloroanilino)-1-oxobutan-2-yl]-N-(3-chlorophenyl)pyrazole-3-carboxamide
CID 44823973
(2S)-N-(3-chlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 7596226
7-chloro-1-ethyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 623112
1-acetyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 12570850
(2S)-2-amino-N-(3-chlorophenyl)butanamide;hydrochloride
CID 119262061
1-acetyl-7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 12570847

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chlorophenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanamide?
The IUPAC name of (2R)-N-(3-chlorophenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanamide (CID 92734517) is (2R)-N-(3-chlorophenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanamide.
What is the SMILES notation for (2R)-N-(3-chlorophenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanamide?
The canonical SMILES for (2R)-N-(3-chlorophenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanamide is CC[C@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)CN=C(c2ccccc2)c2ccccc21.
What is the InChIKey of (2R)-N-(3-chlorophenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanamide?
The InChIKey is WJCRVUOKGBZTIK-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c1-2-21(25(31)28-19-12-8-11-18(26)15-19)29-22-14-7-6-13-20(22)24(27-16-23(29)30)17-9-4-3-5-10-17/h3-15,21H,2,16H2,1H3,(H,28,31)/t21-/m1/s1.
What are the key properties of (2R)-N-(3-chlorophenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanamide?
(2R)-N-(3-chlorophenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanamide has a molecular weight of 431.92 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chlorophenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanamide is sourced from PubChem (CID 92734517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).