N-(4-methoxyphenyl)-3-methyl-4-nitrobenzamide

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1
InChIKey: NPAIHQAJDKTCEJ-UHFFFAOYSA-N
Molecular formula: C15H14N2O4
Average molar mass: 286.28 g/mol

Names & identifiers

Preferred name: N-(4-methoxyphenyl)-3-methyl-4-nitrobenzamide
IUPAC: N-(4-methoxyphenyl)-3-methyl-4-nitrobenzamide

Names & synonyms

N-(4-methoxyphenyl)-3-methyl-4-nitrobenzamideCambridge id 5255124Oprea1_065618Oprea1_648588CBDivE_011910SCHEMBL8714517NPAIHQAJDKTCEJ-UHFFFAOYSA-NAKOS0005185413-Methyl-4-nitro-N-(4-methoxyphenyl)benzamideN-(4-methoxyphenyl)-4-nitro-3-methyl benzamide

Database identifiers

PubChem CID: 790964

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 84.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 374

Related reactions

3 records

New reaction record

HRID 2435As productuspto-grants-1998_03

HRID 1197868As reactantuspto-grants-1994_01

HRID 2156324As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

Loading…