CAS 784-38-3|4-chloro-2-(2-fluorobenzoyl)aniline|2-Amino-5-chloro-2'-fluorobenzophenone|4-chloro-2-(2-fluorobenzoyl)aniline|(2-amino-5-chlorophenyl)(2-fluorophenyl)methanone|(2-Amino-5-chlorophenyl)...

General Information

Structure

Molecular Formula

C₁₃H₉ClFNO

Molecular Mass

249.6680632

Exact Mass

249.03566981

Charge

InChI

InChI=1S/C13H9ClFNO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2

InChIKey

GTGMXPIQRQSORU-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc(c(c1)C(=O)c1ccccc1F)N

Isomeric Smiles

O=C(c1c(F)cccc1)c1cc(ccc1N)Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.000364

LogD (pH = 7.4)

4.0004187

Log P

4.0004196

Molar Refractivity

66.3551

Polarizability

24.649424

Polar Surface Area

43.09

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

4-chloro-2-(2-fluorobenzoyl)aniline

Synonyms

2-Amino-5-chloro-2'-fluorobenzophenone(2-amino-5-chlorophenyl)(2-fluorophenyl)methanone(2-Amino-5-chlorophenyl)(2-fluorophenyl)methanone2-氨基-5-氯-2′-氟二苯甲酮2-Amino-5-chloro-2′-fluorobenzophenone2-Amino-5-chloro-2'-fluorobenzophenone2-氨基-5-氯-2'-氟苯并苯酮

IUPAC name

4-chloro-2-(2-fluorobenzoyl)aniline

Names and Identifiers

Registration numbers

CAS Number

MDL Number

EC Number

PubChem CID