N-[(1-Ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-nitrobenzamide

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Basic information

CAS: 23694-03-3
Standard SMILES: CCN1CCCC1CNC(=O)c1cc([N+](=O)[O-])ccc1OC
InChIKey: DVRHYBYPKBFJKY-UHFFFAOYSA-N
Molecular formula: C15H21N3O4
Average molar mass: 307.34 g/mol
Monoisotopic mass: 307.15320616

Names & identifiers

Preferred name: N-[(1-Ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-nitrobenzamide
IUPAC: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-nitrobenzamide

Names & synonyms

N-[(1-Ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-nitrobenzamide23694-03-3N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-nitrobenzamideOprea1_048622SCHEMBL10517039DTXSID501180442AE-641/30152030N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-nitro-2-methoxybenzamide

Database identifiers

CAS: 23694-03-3
PubChem CID: 202276
DTXSID: DTXSID501180442
Nikkaji: J400.489B

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 87.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 399

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Compound notes

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