Butyric acid, 4-(p-chloro-N-2,6-xylylbenzamido)-

HCID 35383
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
30544-72-0
Standard SMILES
Cc1cccc(C)c1N(CCCC(=O)O)C(=O)c1ccc(Cl)cc1
InChIKey
QRPNRXDOWMDNDM-UHFFFAOYSA-N
Molecular formula
C19H20ClNO3
Average molar mass
345.8 g/mol
Monoisotopic mass
345.11317118

Names & identifiers

Preferred name
Butyric acid, 4-(p-chloro-N-2,6-xylylbenzamido)-
IUPAC
4-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)butanoic acid
English name
4-[p-Chlorobenzoyl(2,6-xylyl)amino]butyric acid
Molecular formula
C19H20ClNO3
Molecular weight
345.82

Names & synonyms

BUTYRIC ACID, 4-(p-CHLORO-N-2,6-XYLYLBENZAMIDO)-BRN 2773081B 6634730544-72-04-(p-Chloro-N-2,6-xylylbenzamido)butyric acidB 67347DTXSID60184633N-(p-Chlorbenzoyl)-gamma-(2,6-dimethylanilino)-buttersaeure [German]N-(p-Chlorbenzoyl)-gamma-(2,6-dimethylanilino)-buttersaeureRefChem:331324DTXCID00107124SCHEMBL11311686
Show more names
B-67347B-663474-[p-Chlorobenzoyl(2,6-xylyl)amino]butyric acidButanoic acid, 4-[(4-chlorobenzoyl)(2,6-dimethylphenyl)amino]-
QRPNRXDOWMDNDM-UHFFFAOYSA-NN-(p-chlorobenzoyl)-4-(2,6-dimethylanilino)butyric acid4-[4-Chloro-N-(2,6-dimethylphenyl)benzamido]butanoic acid

Database identifiers

CAS
30544-72-0
PubChem CID
35383
DTXSID
DTXSID60184633
Nikkaji
J77.584C

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
57.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
24

Physicochemical properties

Density
1.0632 · 1.0632 (rough estimate)
refractive index
1.647 · 1.6470 (estimate)

Related reactions

13 records
New reaction record

Compound notes

Loading…