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

C20H16N2O3 — CID 721931

IUPACN-(2-methyl-5-nitrophenyl)-4-phenylbenzamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H16N2O3/c1-14-7-12-18(22(24)25)13-19(14)21-20(23)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,21,23)
InChIKeyPICIHIQJPMRKKN-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.82
Rot. Bonds4

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

N-(2-methyl-5-nitrophenyl)-4-phenylbenzamide (PubChem CID 721931) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)-4-phenylbenzamide
PubChem CID721931
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC NameN-(2-methyl-5-nitrophenyl)-4-phenylbenzamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H16N2O3/c1-14-7-12-18(22(24)25)13-19(14)21-20(23)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,21,23)
InChIKeyPICIHIQJPMRKKN-UHFFFAOYSA-N
XLogP4.82
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.82
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)-4-phenylbenzamide?
The IUPAC name of N-(2-methyl-5-nitrophenyl)-4-phenylbenzamide (CID 721931) is N-(2-methyl-5-nitrophenyl)-4-phenylbenzamide.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)-4-phenylbenzamide?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)-4-phenylbenzamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)-4-phenylbenzamide?
The InChIKey is PICIHIQJPMRKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-14-7-12-18(22(24)25)13-19(14)21-20(23)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,21,23).
What are the key properties of N-(2-methyl-5-nitrophenyl)-4-phenylbenzamide?
N-(2-methyl-5-nitrophenyl)-4-phenylbenzamide has a molecular weight of 332.36 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)-4-phenylbenzamide is sourced from PubChem (CID 721931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).