2-methyl-N-(3-methylphenyl)-3-nitrobenzamide

C15H14N2O3 — CID 796554

IUPAC2-methyl-N-(3-methylphenyl)-3-nitrobenzamide
SMILESCc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1
InChIInChI=1S/C15H14N2O3/c1-10-5-3-6-12(9-10)16-15(18)13-7-4-8-14(11(13)2)17(19)20/h3-9H,1-2H3,(H,16,18)
InChIKeyVPYGCGLFZVMTRP-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.46
Rot. Bonds3

About 2-methyl-N-(3-methylphenyl)-3-nitrobenzamide

2-methyl-N-(3-methylphenyl)-3-nitrobenzamide (PubChem CID 796554) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-methyl-N-(3-methylphenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylphenyl)-3-nitrobenzamide
PubChem CID796554
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-methyl-N-(3-methylphenyl)-3-nitrobenzamide
SMILESCc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1
InChIInChI=1S/C15H14N2O3/c1-10-5-3-6-12(9-10)16-15(18)13-7-4-8-14(11(13)2)17(19)20/h3-9H,1-2H3,(H,16,18)
InChIKeyVPYGCGLFZVMTRP-UHFFFAOYSA-N
XLogP3.46
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.46
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 2-methyl-N-(3-methylphenyl)-3-nitrobenzamide?
The IUPAC name of 2-methyl-N-(3-methylphenyl)-3-nitrobenzamide (CID 796554) is 2-methyl-N-(3-methylphenyl)-3-nitrobenzamide.
What is the SMILES notation for 2-methyl-N-(3-methylphenyl)-3-nitrobenzamide?
The canonical SMILES for 2-methyl-N-(3-methylphenyl)-3-nitrobenzamide is Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1.
What is the InChIKey of 2-methyl-N-(3-methylphenyl)-3-nitrobenzamide?
The InChIKey is VPYGCGLFZVMTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-5-3-6-12(9-10)16-15(18)13-7-4-8-14(11(13)2)17(19)20/h3-9H,1-2H3,(H,16,18).
What are the key properties of 2-methyl-N-(3-methylphenyl)-3-nitrobenzamide?
2-methyl-N-(3-methylphenyl)-3-nitrobenzamide has a molecular weight of 270.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylphenyl)-3-nitrobenzamide is sourced from PubChem (CID 796554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).