Basic information
- CAS
30544-71-9- Standard SMILES
Cc1cccc(C)c1N(CCCC(=O)O)C(=O)c1ccccc1Cl- InChIKey
QTSWHDYFLYGYLQ-UHFFFAOYSA-N- Molecular formula
- C19H20ClNO3
- Average molar mass
- 345.8 g/mol
- Monoisotopic mass
- 345.1131712
Names & identifiers
- Preferred name
- Butyric acid, 4-(o-chloro-N-2,6-xylylbenzamido)-
- IUPAC
- 4-(N-(2-chlorobenzoyl)-2,6-dimethylanilino)butanoic acid
- English name
- 4-[o-Chlorobenzoyl(2,6-xylyl)amino]butyric acid
- Molecular formula
- C19H20ClNO3
- Molecular weight
- 345.82
Names & synonyms
BUTYRIC ACID, 4-(o-CHLORO-N-2,6-XYLYLBENZAMIDO)-BRN 2776699B 6735830544-71-94-(o-Chloro-N-2,6-xylylbenzamido)butyric acidDTXSID00184632N-(o-Chlorbenzoyl)-gamma-(2,6-dimethylanilino)-buttersaeure [German]N-(o-Chlorbenzoyl)-gamma-(2,6-dimethylanilino)-buttersaeureRefChem:331313DTXCID401071234-[o-Chlorobenzoyl(2,6-xylyl)amino]butyric acidSCHEMBL11431808
Show more names
B-67358Butanoic acid, 4-[(2-chlorobenzoyl)(2,6-dimethylphenyl)amino]-
4-[2-Chloro-N-(2,6-dimethylphenyl)benzamido]butanoic acid
Database identifiers
- CAS
30544-71-9- PubChem CID
- 35382
- DTXSID
DTXSID00184632- Nikkaji
- J77.583E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Boiling point
- 539.2 · 539.2±50.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 4.58 · 4.58±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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