3-methyl-N-[4-(4-nitrophenyl)phenyl]benzamide

C20H16N2O3 — CID 122714277

IUPAC3-methyl-N-[4-(4-nitrophenyl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)c1
InChIInChI=1S/C20H16N2O3/c1-14-3-2-4-17(13-14)20(23)21-18-9-5-15(6-10-18)16-7-11-19(12-8-16)22(24)25/h2-13H,1H3,(H,21,23)
InChIKeyGMJPTLFWPNMELZ-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.82
Rot. Bonds4

About 3-methyl-N-[4-(4-nitrophenyl)phenyl]benzamide

3-methyl-N-[4-(4-nitrophenyl)phenyl]benzamide (PubChem CID 122714277) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-methyl-N-[4-(4-nitrophenyl)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-(4-nitrophenyl)phenyl]benzamide
PubChem CID122714277
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name3-methyl-N-[4-(4-nitrophenyl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)c1
InChIInChI=1S/C20H16N2O3/c1-14-3-2-4-17(13-14)20(23)21-18-9-5-15(6-10-18)16-7-11-19(12-8-16)22(24)25/h2-13H,1H3,(H,21,23)
InChIKeyGMJPTLFWPNMELZ-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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Related Compounds

3-methyl-N-[4-[[1-(4-nitrophenyl)ethylideneamino]carbamoyl]phenyl]benzamide
CID 3328905
N-[4-[(2,4-dinitrophenyl)carbamoyl]phenyl]-3-methylbenzamide
CID 5152612
3-acetamido-N-(4-nitrophenyl)benzamide
CID 127116027
methyl 3-[(4-nitrophenyl)carbamoyl]benzoate
CID 17175216
N-(4-methylphenyl)-3,5-dinitrobenzamide
CID 3094563
N-[3-(4-nitrophenyl)phenyl]benzamide
CID 170346171
N-[4-(3-nitrophenyl)phenyl]benzamide
CID 173440643
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide
CID 3455243
N-(3,5-dimethylphenyl)-3-nitrobenzamide
CID 710720
[4-[(3-methylbenzoyl)amino]phenyl] 4-nitro-1H-pyrrole-2-carboxylate
CID 9455599
N-[4-[2-(3-methylanilino)-1,3-thiazol-4-yl]phenyl]-4-nitrobenzamide
CID 3954610

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(4-nitrophenyl)phenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-(4-nitrophenyl)phenyl]benzamide (CID 122714277) is 3-methyl-N-[4-(4-nitrophenyl)phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-(4-nitrophenyl)phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-(4-nitrophenyl)phenyl]benzamide is Cc1cccc(C(=O)Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-(4-nitrophenyl)phenyl]benzamide?
The InChIKey is GMJPTLFWPNMELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-14-3-2-4-17(13-14)20(23)21-18-9-5-15(6-10-18)16-7-11-19(12-8-16)22(24)25/h2-13H,1H3,(H,21,23).
What are the key properties of 3-methyl-N-[4-(4-nitrophenyl)phenyl]benzamide?
3-methyl-N-[4-(4-nitrophenyl)phenyl]benzamide 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 3-methyl-N-[4-(4-nitrophenyl)phenyl]benzamide is sourced from PubChem (CID 122714277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).