4-[3-(N-Ethylaminocarbonyl)phenyl]-3-methylbenzoic acid

HCID 53227828

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Basic information

CAS: 1261976-63-9
Standard SMILES: CCNC(=O)c1cccc(-c2ccc(C(=O)O)cc2C)c1
InChIKey: PNBQCKBCBSYJAF-UHFFFAOYSA-N
Molecular formula: C17H17NO3
Average molar mass: 283.32 g/mol
Monoisotopic mass: 283.1208434

Names & identifiers

Preferred name: 4-[3-(N-Ethylaminocarbonyl)phenyl]-3-methylbenzoic acid
IUPAC: 4-[3-(ethylcarbamoyl)phenyl]-3-methylbenzoic acid

Names & synonyms

1261976-63-9MFCD183219984-[3-(N-ETHYLAMINOCARBONYL)PHENYL]-3-METHYLBENZOIC ACIDDTXSID506913614-[3-(ethylcarbamoyl)phenyl]-3-methyl-benzoic acid4-[3-(ethylcarbamoyl)phenyl]-3-methylbenzoic acid4-[3-(N-Ethylaminocarbonyl)phenyl]-3-methylbenzoic acid, 95%3'-(Ethylcarbamoyl)-2-methyl[1,1'-biphenyl]-4-carboxylic acid

Database identifiers

CAS: 1261976-63-9
PubChem CID: 53227828
DTXSID: DTXSID50691361

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 382

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