4-chloro-N-[4-(2-methylanilino)-4-oxobutyl]benzamide
Basic information
- CAS
879174-33-1- Standard SMILES
Cc1ccccc1NC(=O)CCCNC(=O)c1ccc(Cl)cc1- InChIKey
YFNDIVXAVPYNNT-UHFFFAOYSA-N- Molecular formula
- C18H19ClN2O2
- Average molar mass
- 330.8 g/mol
- Monoisotopic mass
- 330.1135055
Names & identifiers
- Preferred name
- 4-chloro-N-[4-(2-methylanilino)-4-oxobutyl]benzamide
- IUPAC
- 4-chloro-N-[4-(2-methylanilino)-4-oxobutyl]benzamide
Names & synonyms
MLS001176044CHEMBL1368291DTXSID901330885HMS2889B08AKOS001282139SMR000595771AB00750641-01Z277937174-chloro-N-[4-(2-methylanilino)-4-oxobutyl]benzamide879174-33-1
Database identifiers
- CAS
879174-33-1- PubChem CID
- 9509562
- DTXSID
DTXSID901330885- ChEMBL
CHEMBL1368291
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 394
Experimental & physicochemical properties
Solubility42.6 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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