N-tert-butyl-2-(4-chlorophenyl)acetamide

C12H16ClNO — CID 4162717

IUPACN-tert-butyl-2-(4-chlorophenyl)acetamide
SMILESCC(C)(C)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-12(2,3)14-11(15)8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeyMVWNJFAJKMCOOL-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.80
Rot. Bonds2

About N-tert-butyl-2-(4-chlorophenyl)acetamide

N-tert-butyl-2-(4-chlorophenyl)acetamide (PubChem CID 4162717) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is N-tert-butyl-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-chlorophenyl)acetamide
PubChem CID4162717
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC NameN-tert-butyl-2-(4-chlorophenyl)acetamide
SMILESCC(C)(C)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-12(2,3)14-11(15)8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeyMVWNJFAJKMCOOL-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Glutarimide, 2-(p-chlorobenzyl)-
CID 212772
2-(4-Chlorophenyl)Acetamide
CID 643286
2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 828501
2-(4-chlorophenyl)-N-cycloheptylacetamide
CID 875700
N-(4-chlorobenzyl)-2-cyclohexylacetamide
CID 1121692
N-cycloheptyl-2-(2,4-dichlorophenyl)acetamide
CID 2712577
2-(4-chlorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 977625
2-(3-Chloro-phenyl)-N-cyclohexyl-acetamide
CID 11379742
N-[2-(4-chlorophenyl)ethyl]acetamide
CID 9877644
N-[(4-chlorophenyl)methyl]pentanamide
CID 2169936
N-tert-butyl-2-chlorobenzamide
CID 4644665
2-(4-Chlorophenyl)-3-methylbutanamide
CID 12898176

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-tert-butyl-2-(4-chlorophenyl)acetamide (CID 4162717) is N-tert-butyl-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-tert-butyl-2-(4-chlorophenyl)acetamide is CC(C)(C)NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N-tert-butyl-2-(4-chlorophenyl)acetamide?
The InChIKey is MVWNJFAJKMCOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-12(2,3)14-11(15)8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3,(H,14,15).
What are the key properties of N-tert-butyl-2-(4-chlorophenyl)acetamide?
N-tert-butyl-2-(4-chlorophenyl)acetamide has a molecular weight of 225.72 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 4162717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).