2-chloro-N-(2-methyl-3-propan-2-ylphenyl)acetamide

C12H16ClNO — CID 166429832

IUPAC2-chloro-N-(2-methyl-3-propan-2-ylphenyl)acetamide
SMILESCc1c(NC(=O)CCl)cccc1C(C)C
InChIInChI=1S/C12H16ClNO/c1-8(2)10-5-4-6-11(9(10)3)14-12(15)7-13/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyLJIYLJGTCQMCBT-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.30
Rot. Bonds3

About 2-chloro-N-(2-methyl-3-propan-2-ylphenyl)acetamide

2-chloro-N-(2-methyl-3-propan-2-ylphenyl)acetamide (PubChem CID 166429832) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-3-propan-2-ylphenyl)acetamide
PubChem CID166429832
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-chloro-N-(2-methyl-3-propan-2-ylphenyl)acetamide
SMILESCc1c(NC(=O)CCl)cccc1C(C)C
InChIInChI=1S/C12H16ClNO/c1-8(2)10-5-4-6-11(9(10)3)14-12(15)7-13/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyLJIYLJGTCQMCBT-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-(2-methyl-3-propan-2-ylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
methyl N-[3-[(2-chloroacetyl)amino]-2-methylphenyl]carbamate
CID 166415130
3-[(2-chloroacetyl)amino]-2-methylbenzamide
CID 43698457
2-chloro-N-[2,5-di(propan-2-yl)phenyl]acetamide
CID 155581097
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
N-(2-propan-2-ylphenyl)propanamide
CID 723442
CID 70116156
CID 70116156
5-chloro-N-(2-propan-2-ylphenyl)pentanamide
CID 28727835
N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 54818713
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425
2-chloro-N-[2-methyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 91683695
1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992289

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(2-methyl-3-propan-2-ylphenyl)acetamide (CID 166429832) is 2-chloro-N-(2-methyl-3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-methyl-3-propan-2-ylphenyl)acetamide is Cc1c(NC(=O)CCl)cccc1C(C)C.
What is the InChIKey of 2-chloro-N-(2-methyl-3-propan-2-ylphenyl)acetamide?
The InChIKey is LJIYLJGTCQMCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8(2)10-5-4-6-11(9(10)3)14-12(15)7-13/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of 2-chloro-N-(2-methyl-3-propan-2-ylphenyl)acetamide?
2-chloro-N-(2-methyl-3-propan-2-ylphenyl)acetamide has a molecular weight of 225.72 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 166429832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).