Basic information
- CAS
329940-41-2- Standard SMILES
Cc1ccc(C(=O)NC2CCCC2)cc1[N+](=O)[O-]- InChIKey
JIPYZLJMJWGAAP-UHFFFAOYSA-N- Molecular formula
- C13H16N2O3
- Average molar mass
- 248.28 g/mol
- Monoisotopic mass
- 248.11609238
Names & identifiers
- Preferred name
- N-cyclopentyl-4-methyl-3-nitrobenzamide
- IUPAC
- N-cyclopentyl-4-methyl-3-nitrobenzamide
Names & synonyms
N-cyclopentyl-4-methyl-3-nitrobenzamide5356-61-6N-CYCLOPENTYL-4-METHYL-3-NITRO-BENZAMIDEOprea1_598313CHEMBL5498178DTXSID00351827STK395872AKOS001295688ST010821AB00082691-01N-cyclopentyl(4-methyl-3-nitrophenyl)carboxamideSR-01000206800
Show more names
SR-01000206800-1Z32412870
Database identifiers
- CAS
329940-41-2、5356-61-6- PubChem CID
- 710846
- DTXSID
DTXSID00351827- ChEMBL
CHEMBL5498178- EC Number
- 169-534-0
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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