N-(3-chloro-4-methylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide

C24H20ClN3O2 — CID 4231216

IUPACN-(3-chloro-4-methylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)CN=C(c3ccccc3)c3ccccc32)cc1Cl
InChIInChI=1S/C24H20ClN3O2/c1-16-11-12-18(13-20(16)25)27-22(29)15-28-21-10-6-5-9-19(21)24(26-14-23(28)30)17-7-3-2-4-8-17/h2-13H,14-15H2,1H3,(H,27,29)
InChIKeySTQYUJIDOVXUAJ-UHFFFAOYSA-N
MW417.90 g/mol
LogP4.47
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide

N-(3-chloro-4-methylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide (PubChem CID 4231216) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
PubChem CID4231216
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)CN=C(c3ccccc3)c3ccccc32)cc1Cl
InChIInChI=1S/C24H20ClN3O2/c1-16-11-12-18(13-20(16)25)27-22(29)15-28-21-10-6-5-9-19(21)24(26-14-23(28)30)17-7-3-2-4-8-17/h2-13H,14-15H2,1H3,(H,27,29)
InChIKeySTQYUJIDOVXUAJ-UHFFFAOYSA-N
XLogP4.47
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-methylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide (CID 4231216) is N-(3-chloro-4-methylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide is Cc1ccc(NC(=O)CN2C(=O)CN=C(c3ccccc3)c3ccccc32)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The InChIKey is STQYUJIDOVXUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c1-16-11-12-18(13-20(16)25)27-22(29)15-28-21-10-6-5-9-19(21)24(26-14-23(28)30)17-7-3-2-4-8-17/h2-13H,14-15H2,1H3,(H,27,29).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
N-(3-chloro-4-methylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide has a molecular weight of 417.90 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide is sourced from PubChem (CID 4231216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).