N-cyclopropyl-4-(1H-pyrrol-1-yl)benzamide
Basic information
- CAS
439097-46-8- Standard SMILES
O=C(NC1CC1)c1ccc(-n2cccc2)cc1- InChIKey
XQPXMYNJQGMBNI-UHFFFAOYSA-N- Molecular formula
- C14H14N2O
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.11061307
Names & identifiers
- Preferred name
- N-cyclopropyl-4-(1H-pyrrol-1-yl)benzamide
- IUPAC
- N-cyclopropyl-4-pyrrol-1-ylbenzamide
Names & synonyms
439097-46-8N-cyclopropyl-4-(1H-pyrrol-1-yl)benzamideMFCD03012894N-cyclopropyl-4-pyrrol-1-ylbenzamideN-cyclopropyl-4-(1H-pyrrol-1-yl)benzenecarboxamideZINC1384320ZINC01384320Oprea1_091966MLS000763985CHEMBL1391312DTXSID601329732HMS2711B10
Show more names
Ncyclopropyl4(1Hpyrrol1yl)benzamideEiM08-06303STK658783NCYCLOPROPYL4PYRROL1YLBENZAMIDEAKOS005589468N-cyclopropyl-4-pyrrol-1-yl-benzamideSMR000336131ZINC000001384320
Database identifiers
- CAS
439097-46-8- PubChem CID
- 1472877
- DTXSID
DTXSID601329732- ChEMBL
CHEMBL1391312
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 274
Experimental & physicochemical properties
Solubility17.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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