2-[2-(Diethylcarbamoyl)phenyl]benzoic acid

HCID 409447

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 6955-22-2
Standard SMILES: CCN(CC)C(=O)c1ccccc1-c1ccccc1C(=O)O
InChIKey: GLEINWWQSCYMIV-UHFFFAOYSA-N
Molecular formula: C18H19NO3
Average molar mass: 297.3 g/mol
Monoisotopic mass: 297.13649347

Names & identifiers

Preferred name: 2-[2-(Diethylcarbamoyl)phenyl]benzoic acid
IUPAC: 2-[2-(diethylcarbamoyl)phenyl]benzoic acid

Names & synonyms

6955-22-22'-(Diethylcarbamoyl)[1,1'-biphenyl]-2-carboxylic acid[1,1'-Biphenyl]-2-carboxylicacid, 2'-[(diethylamino)carbonyl]-2-[2-(diethylcarbamoyl)phenyl]benzoic acidNSC21257CBMicro_016733Oprea1_093765DTXSID80328335HMS1654G19CCG-5722NSC-21257BIM-0016704.P001

Show more names

AG-205/03665011SR-01000014312SR-01000014312-12'-[(diethylamino)carbonyl][1,1'-biphenyl]-2-carboxylic acid

Database identifiers

CAS: 6955-22-2
PubChem CID: 409447
DTXSID: DTXSID80328335

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 57.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 392

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…