Basic information
- CAS
30544-69-5- Standard SMILES
COc1ccc(N(CCCC(=O)O)C(=O)c2ccc(Cl)cc2)cc1OC- InChIKey
IHCNQNQLZYSDFF-UHFFFAOYSA-N- Molecular formula
- C19H20ClNO5
- Average molar mass
- 377.8 g/mol
- Monoisotopic mass
- 377.1030004
Names & identifiers
- Preferred name
- Butyric acid, 4-(p-chloro-N-(3,4-dimethoxyphenyl)benzamido)-
- IUPAC
- 4-(N-(4-chlorobenzoyl)-3,4-dimethoxyanilino)butanoic acid
Names & synonyms
BRN 2783449B 67353BUTYRIC ACID, 4-(p-CHLORO-N-(3,4-DIMETHOXYPHENYL)BENZAMIDO)-30544-69-54-(p-Chloro-N-(3,4-dimethoxyphenyl)benzamido)butyric acidDTXSID40184631N-(p-Chlorbenzoyl)-gamma-(3,4-dimethoxyanilino)-buttersaeure [German]N-(p-Chlorbenzoyl)-gamma-(3,4-dimethoxyanilino)-buttersaeureRefChem:331322DTXCID80107122SCHEMBL114367474-[4-Chloro-N-(3,4-dimethoxyphenyl)benzamido]butanoic acid
Database identifiers
- CAS
30544-69-5- PubChem CID
- 35381
- DTXSID
DTXSID40184631- Nikkaji
- J77.577K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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