N-(4-methoxy-2-nitrophenyl)benzamide

HCID 274249

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Basic information

CAS: 38259-63-1
Standard SMILES: COc1ccc(NC(=O)c2ccccc2)c([N+](=O)[O-])c1
InChIKey: HYMFJDOCRJHHTH-UHFFFAOYSA-N
Molecular formula: C14H12N2O4
Average molar mass: 272.26 g/mol
Monoisotopic mass: 272.07970687

Names & identifiers

Preferred name: N-(4-methoxy-2-nitrophenyl)benzamide
IUPAC: N-(4-methoxy-2-nitrophenyl)benzamide

Names & synonyms

N-(4-methoxy-2-nitrophenyl)benzamide38259-63-1DTXSID50298011RefChem:362058DTXCID90249148NSC120199Oprea1_037555MLS001033067CHEMBL1563642HMS2708B08STK044250AKOS001044940

Show more names

NSC-120199SMR000385469ST50693615AB00610931-02Z56871773

Database identifiers

CAS: 38259-63-1
PubChem CID: 274249
DTXSID: DTXSID50298011
ChEMBL: CHEMBL1563642

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 84.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 350

Experimental & physicochemical properties

Solubility2.1 [ug/mL] (The mean of the results at pH 7.4)

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