2-(4-chloro-2-methylphenyl)-N-ethylacetamide

C11H14ClNO — CID 142912369

IUPAC2-(4-chloro-2-methylphenyl)-N-ethylacetamide
SMILESCCNC(=O)Cc1ccc(Cl)cc1C
InChIInChI=1S/C11H14ClNO/c1-3-13-11(14)7-9-4-5-10(12)6-8(9)2/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKeyIJIHJGOOCWIJFK-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.33
Rot. Bonds3

About 2-(4-chloro-2-methylphenyl)-N-ethylacetamide

2-(4-chloro-2-methylphenyl)-N-ethylacetamide (PubChem CID 142912369) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenyl)-N-ethylacetamide
PubChem CID142912369
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-(4-chloro-2-methylphenyl)-N-ethylacetamide
SMILESCCNC(=O)Cc1ccc(Cl)cc1C
InChIInChI=1S/C11H14ClNO/c1-3-13-11(14)7-9-4-5-10(12)6-8(9)2/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKeyIJIHJGOOCWIJFK-UHFFFAOYSA-N
XLogP2.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-chloro-2-methylphenyl)-N-ethylacetamide 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-(4-chloro-2-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 67968231
N-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide
CID 67968196
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide
CID 67968197
2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide
CID 171546068
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204
2-(4-chloro-2-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 67968189
2-[(2,4-dichlorophenyl)methylamino]-N-ethylacetamide
CID 43399947
2-(5-chloro-1-benzothiophen-3-yl)-N-ethylacetamide
CID 67581521
methyl 2-[[2-(4-chloro-2-methylphenyl)acetyl]amino]propanoate
CID 22104881
N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide
CID 104853952
4-[[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylbenzamide
CID 55802304

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenyl)-N-ethylacetamide?
The IUPAC name of 2-(4-chloro-2-methylphenyl)-N-ethylacetamide (CID 142912369) is 2-(4-chloro-2-methylphenyl)-N-ethylacetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenyl)-N-ethylacetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenyl)-N-ethylacetamide is CCNC(=O)Cc1ccc(Cl)cc1C.
What is the InChIKey of 2-(4-chloro-2-methylphenyl)-N-ethylacetamide?
The InChIKey is IJIHJGOOCWIJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-3-13-11(14)7-9-4-5-10(12)6-8(9)2/h4-6H,3,7H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-chloro-2-methylphenyl)-N-ethylacetamide?
2-(4-chloro-2-methylphenyl)-N-ethylacetamide has a molecular weight of 211.69 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenyl)-N-ethylacetamide is sourced from PubChem (CID 142912369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).