CAS 539-03-7|4'-Chloroacetanilide|4-chloroacetanilide|N-(4-Chlorophenyl)acetamide|N-(4-chlorophenyl)acetamide|4-氯乙酰苯胺|4′-Chloroacetanilide|Acetic acid 4-chloroanilide|对氯乙酰苯胺|p-Chloroacet...

General Information

Structure

Molecular Formula

C₈H₈ClNO

Molecular Mass

169.60822

Exact Mass

169.02944156

Charge

InChI

InChI=1S/C8H8ClNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)

InChIKey

GGUOCFNAWIODMF-UHFFFAOYSA-N

Canonic Smiles

CC(=O)Nc1ccc(cc1)Cl

Isomeric Smiles

N(c1ccc(cc1)Cl)C(=O)C

Calculated Properties

JChem

Acid pKa

14.314373

H Acceptors

H Donor

LogD (pH = 5.5)

1.8150009

LogD (pH = 7.4)

1.8150008

Log P

1.8150009

Molar Refractivity

45.7258

Polarizability

17.081131

Polar Surface Area

29.1

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

4'-ChloroacetanilideN-(4-Chlorophenyl)acetamide4′-Chloroacetanilide4-氯乙酰苯胺Acetic acid 4-chloroanilide对氯乙酰苯胺p-ChloroacetanilideN-(p-Chlorophenyl)acetamideN-Acetyl-4-chloroanilineN-(4-chlorophenyl)acetamideN-Acetyl-p-chloroanilineNSC 444NSC 405634'-氯乙酰苯胺4'-Chloroacetanilide

IUPAC Traditional name

4-chloroacetanilide

IUPAC name

N-(4-chlorophenyl)acetamide

Names and Identifiers

Registration numbers

EC Number

208-707-8

MDL Number

MFCD00000612

CAS Number

539-03-7