2-Dimethylamino-3-benzoylphenylacetic Acid

HCID 12901254
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Basic information

Standard SMILES
CN(C)c1c(CC(=O)O)cccc1C(=O)c1ccccc1
InChIKey
YWLBYZXTJKMZPN-UHFFFAOYSA-N
Molecular formula
C17H17NO3
Average molar mass
283.32 g/mol
Monoisotopic mass
283.1208434

Names & identifiers

Preferred name
2-Dimethylamino-3-benzoylphenylacetic Acid
IUPAC
2-[3-benzoyl-2-(dimethylamino)phenyl]acetic acid

Names & synonyms

CHEMBL75646SCHEMBL9747798YWLBYZXTJKMZPN-UHFFFAOYSA-NBDBM502287322-Dimethylamino-3-benzoylphenylacetic Acid[3-benzoyl-2-(dimethylamino)phenyl]acetic acid

Database identifiers

PubChem CID
12901254
ChEMBL
CHEMBL75646
Nikkaji
J336.896C

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
57.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
21

Related reactions

4 records
New reaction record

Compound notes

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