Benzamide, N-(alpha-(3-(dimethylamino)propyl)benzyl)-m-nitro-, hydrochloride

HCID 54604

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Basic information

CAS: 80704-44-5
Standard SMILES: C[NH+](C)CCCC(NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1.[Cl-]
InChIKey: YNUNFOBWGVCIFR-UHFFFAOYSA-N
Molecular formula: C19H24ClN3O3
Average molar mass: 377.9 g/mol
Monoisotopic mass: 377.1506193

Names & identifiers

Preferred name: Benzamide, N-(alpha-(3-(dimethylamino)propyl)benzyl)-m-nitro-, hydrochloride
IUPAC: dimethyl-[4-[(3-nitrobenzoyl)amino]-4-phenylbutyl]azanium chloride

Names & synonyms

N-(alpha-(3-(Dimethylamino)propyl)benzyl)-m-nitro-benzamide hydrochloride80704-44-5BENZAMIDE, N-(alpha-(3-(DIMETHYLAMINO)PROPYL)BENZYL)-m-NITRO-, HYDROCHLORIDERefChem:322429

Database identifiers

CAS: 80704-44-5
PubChem CID: 54604

Properties

Computed structural properties

Topological polar surface area: 79.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 26
Formal charge: 0
Complexity: 430

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