N-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide

C20H15ClN2O3 — CID 2910019

IUPACN-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H15ClN2O3/c1-13-11-19(23(25)26)17(21)12-18(13)22-20(24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,24)
InChIKeyCHEKFPKLDWZFLO-UHFFFAOYSA-N
MW366.80 g/mol
LogP5.48
Rot. Bonds4

About N-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide

N-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide (PubChem CID 2910019) has the molecular formula C20H15ClN2O3 and a molecular weight of 366.80 g/mol. Its IUPAC name is N-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide
PubChem CID2910019
Molecular FormulaC20H15ClN2O3
Molecular Weight366.80 g/mol
Exact Mass366.08
IUPAC NameN-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H15ClN2O3/c1-13-11-19(23(25)26)17(21)12-18(13)22-20(24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,24)
InChIKeyCHEKFPKLDWZFLO-UHFFFAOYSA-N
XLogP5.48
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.80
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide
CID 104668259
3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide
CID 17102161
N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide
CID 17102186
4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide
CID 17102214
N-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide
CID 3683466
N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-4-iodobenzamide
CID 17115404
N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide
CID 5222418
N-(4-chloro-2-methylphenyl)-4-phenylbenzamide
CID 19174130
2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide
CID 17102197
N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxy-3-methylbenzamide
CID 17102198
N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-4-methyl-3-nitrobenzamide
CID 22775384
4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide
CID 103145399

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide?
The IUPAC name of N-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide (CID 2910019) is N-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide.
What is the SMILES notation for N-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide?
The canonical SMILES for N-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide is Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide?
The InChIKey is CHEKFPKLDWZFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3/c1-13-11-19(23(25)26)17(21)12-18(13)22-20(24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,24).
What are the key properties of N-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide?
N-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide has a molecular weight of 366.80 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide is sourced from PubChem (CID 2910019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).