N-(3,5-dimethoxyphenyl)-4-nitrobenzamide

Substructure search Find similar structures

Basic information

CAS: 152586-91-9
Standard SMILES: COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1
InChIKey: NFTSDOZGZXXXGN-UHFFFAOYSA-N
Molecular formula: C15H14N2O5
Average molar mass: 302.28 g/mol
Monoisotopic mass: 302.09027155

Names & identifiers

Preferred name: N-(3,5-dimethoxyphenyl)-4-nitrobenzamide
IUPAC: N-(3,5-dimethoxyphenyl)-4-nitrobenzamide

Names & synonyms

N-(3,5-dimethoxyphenyl)-4-nitrobenzamide152586-91-9Cambridge id 5107183Oprea1_516590CBDivE_000558SCHEMBL4248472NFTSDOZGZXXXGN-UHFFFAOYSA-NDTXSID501274716AKOS008558114AB00073793-01

Database identifiers

CAS: 152586-91-9
PubChem CID: 744553
DTXSID: DTXSID501274716

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 93.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 378

Related reactions

3 records

New reaction record

HRID 714752As productuspto-grants-2015_11

HRID 714754As productuspto-grants-2015_11

HRID 714756As productuspto-grants-2015_11

Compound notes

Loading…