4-(4-Chlorophenyl)-N-(3-hydroxypropyl)-4-oxobutanimidic acid
Basic information
- CAS
20381-07-1- Standard SMILES
O=C(CCC(=O)c1ccc(Cl)cc1)NCCCO- InChIKey
PGUDNIYVFKIZJQ-UHFFFAOYSA-N- Molecular formula
- C13H16ClNO3
- Average molar mass
- 269.72 g/mol
- Monoisotopic mass
- 269.0818711
Names & identifiers
- Preferred name
- 4-(4-Chlorophenyl)-N-(3-hydroxypropyl)-4-oxobutanimidic acid
- IUPAC
- 4-(4-chlorophenyl)-N-(3-hydroxypropyl)-4-oxobutanamide
Names & synonyms
20381-07-1DTXSID809425504-(4-Chlorophenyl)-N-(3-hydroxypropyl)-4-oxobutanimidic acidRefChem:1069946DTXCID301370948N-(3-Hydroxypropyl)-3-(p-chlorobenzoyl)propionamide4-(4-chlorophenyl)-n-(3-hydroxypropyl)-4-oxobutanamideBRN 1120972Propionamide, 3-(p-chlorobenzoyl)-N-(3-hydroxypropyl)-CHEMBL3276177
Database identifiers
- CAS
20381-07-1- PubChem CID
- 209787
- DTXSID
DTXSID80942550- ChEMBL
CHEMBL3276177- Nikkaji
- J51.048C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 275
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Compound notes
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