2-[5-chloro-2-(phenylcarbamoyl)phenyl]-5-methyl-N-(3-nitrophenyl)benzamide

C27H20ClN3O4 — CID 134694588

IUPAC2-[5-chloro-2-(phenylcarbamoyl)phenyl]-5-methyl-N-(3-nitrophenyl)benzamide
SMILESCc1ccc(-c2cc(Cl)ccc2C(=O)Nc2ccccc2)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C27H20ClN3O4/c1-17-10-12-22(25(14-17)27(33)30-20-8-5-9-21(16-20)31(34)35)24-15-18(28)11-13-23(24)26(32)29-19-6-3-2-4-7-19/h2-16H,1H3,(H,29,32)(H,30,33)
InChIKeyRQQGIXFNWNVIKP-UHFFFAOYSA-N
MW485.93 g/mol
LogP6.73
Rot. Bonds6

About 2-[5-chloro-2-(phenylcarbamoyl)phenyl]-5-methyl-N-(3-nitrophenyl)benzamide

2-[5-chloro-2-(phenylcarbamoyl)phenyl]-5-methyl-N-(3-nitrophenyl)benzamide (PubChem CID 134694588) has the molecular formula C27H20ClN3O4 and a molecular weight of 485.93 g/mol. Its IUPAC name is 2-[5-chloro-2-(phenylcarbamoyl)phenyl]-5-methyl-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-[5-chloro-2-(phenylcarbamoyl)phenyl]-5-methyl-N-(3-nitrophenyl)benzamide
PubChem CID134694588
Molecular FormulaC27H20ClN3O4
Molecular Weight485.93 g/mol
Exact Mass485.11
IUPAC Name2-[5-chloro-2-(phenylcarbamoyl)phenyl]-5-methyl-N-(3-nitrophenyl)benzamide
SMILESCc1ccc(-c2cc(Cl)ccc2C(=O)Nc2ccccc2)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C27H20ClN3O4/c1-17-10-12-22(25(14-17)27(33)30-20-8-5-9-21(16-20)31(34)35)24-15-18(28)11-13-23(24)26(32)29-19-6-3-2-4-7-19/h2-16H,1H3,(H,29,32)(H,30,33)
InChIKeyRQQGIXFNWNVIKP-UHFFFAOYSA-N
XLogP6.73
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.93
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[5-chloro-2-(phenylcarbamoyl)phenyl]-5-methyl-N-(3-nitrophenyl)benzamide 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

5-chloro-2-(methylamino)-N-(3-nitrophenyl)benzamide
CID 62166987
5-chloro-2-nitro-N-phenylbenzamide
CID 4135938
6-methyl-N-(3-nitrophenyl)-2-phenylquinoline-4-carboxamide
CID 1122087
2-fluoro-N-(3-nitrophenyl)benzamide
CID 531938
2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide
CID 797365
5-methyl-2-(4-methylphenyl)-N-phenylbenzamide
CID 173213744
2-(2-cyanophenyl)-N-(3-nitrophenyl)benzamide
CID 32989896
2-fluoro-N-(4-methylphenyl)-5-nitrobenzamide
CID 43377467
2-[(3-nitrophenyl)carbamoyl]benzoate
CID 6935895
2-amino-5-chloro-N-(4-methylphenyl)benzamide
CID 6481532
2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide
CID 16960210
2,4-dimethyl-N-[(3-nitrophenyl)carbamothioyl]benzamide
CID 960977

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(phenylcarbamoyl)phenyl]-5-methyl-N-(3-nitrophenyl)benzamide?
The IUPAC name of 2-[5-chloro-2-(phenylcarbamoyl)phenyl]-5-methyl-N-(3-nitrophenyl)benzamide (CID 134694588) is 2-[5-chloro-2-(phenylcarbamoyl)phenyl]-5-methyl-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 2-[5-chloro-2-(phenylcarbamoyl)phenyl]-5-methyl-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 2-[5-chloro-2-(phenylcarbamoyl)phenyl]-5-methyl-N-(3-nitrophenyl)benzamide is Cc1ccc(-c2cc(Cl)ccc2C(=O)Nc2ccccc2)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 2-[5-chloro-2-(phenylcarbamoyl)phenyl]-5-methyl-N-(3-nitrophenyl)benzamide?
The InChIKey is RQQGIXFNWNVIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN3O4/c1-17-10-12-22(25(14-17)27(33)30-20-8-5-9-21(16-20)31(34)35)24-15-18(28)11-13-23(24)26(32)29-19-6-3-2-4-7-19/h2-16H,1H3,(H,29,32)(H,30,33).
What are the key properties of 2-[5-chloro-2-(phenylcarbamoyl)phenyl]-5-methyl-N-(3-nitrophenyl)benzamide?
2-[5-chloro-2-(phenylcarbamoyl)phenyl]-5-methyl-N-(3-nitrophenyl)benzamide has a molecular weight of 485.93 g/mol, XLogP of 6.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(phenylcarbamoyl)phenyl]-5-methyl-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 134694588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).