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

C25H22ClN3O2 — CID 15990730

IUPACN-(3-chloro-2-methylphenyl)-2-(3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN1C(=O)C(C)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C25H22ClN3O2/c1-16-20(26)12-8-13-21(16)28-23(30)15-29-22-14-7-6-11-19(22)24(27-17(2)25(29)31)18-9-4-3-5-10-18/h3-14,17H,15H2,1-2H3,(H,28,30)
InChIKeyRURKAQDHVRJENY-UHFFFAOYSA-N
MW431.92 g/mol
LogP4.86
Rot. Bonds4

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

N-(3-chloro-2-methylphenyl)-2-(3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide (PubChem CID 15990730) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
PubChem CID15990730
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN1C(=O)C(C)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C25H22ClN3O2/c1-16-20(26)12-8-13-21(16)28-23(30)15-29-22-14-7-6-11-19(22)24(27-17(2)25(29)31)18-9-4-3-5-10-18/h3-14,17H,15H2,1-2H3,(H,28,30)
InChIKeyRURKAQDHVRJENY-UHFFFAOYSA-N
XLogP4.86
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-2-methylphenyl)-2-(3-methyl-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-2-methylphenyl)-2-(3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide (CID 15990730) is N-(3-chloro-2-methylphenyl)-2-(3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide is Cc1c(Cl)cccc1NC(=O)CN1C(=O)C(C)N=C(c2ccccc2)c2ccccc21.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The InChIKey is RURKAQDHVRJENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c1-16-20(26)12-8-13-21(16)28-23(30)15-29-22-14-7-6-11-19(22)24(27-17(2)25(29)31)18-9-4-3-5-10-18/h3-14,17H,15H2,1-2H3,(H,28,30).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
N-(3-chloro-2-methylphenyl)-2-(3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide has a molecular weight of 431.92 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide is sourced from PubChem (CID 15990730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).