CAS 15678-99-6|N-tert-butyl-2-chloroacetamide|N-tert-butyl-2-chloroacetamide|N-(tert-Butyl)-2-chloroacetamide|N1-(tert-Butyl)-2-chloroacetamide|2-Chloro-N-t-butylacetamide|N-Chloroacetyl-tert-butyla...

General Information

Structure

Molecular Formula

C₆H₁₂ClNO

Molecular Mass

149.61858

Exact Mass

149.06074169

Charge

InChI

InChI=1S/C6H12ClNO/c1-6(2,3)8-5(9)4-7/h4H2,1-3H3,(H,8,9)

InChIKey

NQVPSGXLCXZSTB-UHFFFAOYSA-N

Canonic Smiles

ClCC(=O)NC(C)(C)C

Isomeric Smiles

C(=O)(NC(C)(C)C)CCl

Calculated Properties

JChem

Acid pKa

13.162207

H Acceptors

H Donor

LogD (pH = 5.5)

0.7846912

LogD (pH = 7.4)

0.78469056

Log P

0.7846912

Molar Refractivity

37.9214

Polarizability

14.850778

Polar Surface Area

29.1

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

N-tert-butyl-2-chloroacetamide

Synonyms

N-(tert-Butyl)-2-chloroacetamideN1-(tert-Butyl)-2-chloroacetamideN-Chloroacetyl-tert-butylamineα-Chloro-N-tert-butylacetamideN-tert-Butyl-2-chloroacetamideNSC 8361N-Chloroacetyl-tert-butylamine2-Chloro-N-t-butylacetamideN-tert-butyl-2-chloroacetamide

IUPAC Traditional name

N-tert-butyl-2-chloroacetamide

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID