2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide

C12H16ClNO — CID 131561562

IUPAC2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide
SMILESCCN(C(=O)CCl)c1ccc(C)cc1C
InChIInChI=1S/C12H16ClNO/c1-4-14(12(15)8-13)11-6-5-9(2)7-10(11)3/h5-7H,4,8H2,1-3H3
InChIKeyYCLACXPLGWVPAH-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.90
Rot. Bonds3

About 2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide

2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide (PubChem CID 131561562) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide
PubChem CID131561562
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide
SMILESCCN(C(=O)CCl)c1ccc(C)cc1C
InChIInChI=1S/C12H16ClNO/c1-4-14(12(15)8-13)11-6-5-9(2)7-10(11)3/h5-7H,4,8H2,1-3H3
InChIKeyYCLACXPLGWVPAH-UHFFFAOYSA-N
XLogP2.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2,4-dimethylphenyl)-N-(isothiocyanatomethyl)acetamide
CID 24976201
N-(2,4-dimethylphenyl)-N-ethyl-2-methylpropanamide
CID 78853766
2-(4-acetamidophenyl)-N-(2,4-dimethylphenyl)-N-ethylacetamide
CID 86927157
N-(2,4-dimethylphenyl)-N-ethyl-3-(3-fluorophenyl)propanamide
CID 86927158
N-(2,4-dimethylphenyl)-N-ethyl-2-(4-oxoquinolin-1-yl)acetamide
CID 51095480
N-(2,5-dimethylphenyl)-N-ethylcarbamate
CID 57353487
N-(2,5-dimethylphenyl)-N-ethyl-4-methylpentanamide
CID 78853870
4-(4-acetylphenoxy)-N-(2,4-dimethylphenyl)-N-ethylbutanamide
CID 78853768
N-[4-(N-ethyl-2,4-dimethylanilino)-4-oxobutyl]-4-methoxybenzamide
CID 55625452
2-chloro-N-(2,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 39425790
3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113124282
2-chloro-N-(4-chlorophenyl)-N-ethylacetamide
CID 15045863

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide?
The IUPAC name of 2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide (CID 131561562) is 2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide.
What is the SMILES notation for 2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide?
The canonical SMILES for 2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide is CCN(C(=O)CCl)c1ccc(C)cc1C.
What is the InChIKey of 2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide?
The InChIKey is YCLACXPLGWVPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-4-14(12(15)8-13)11-6-5-9(2)7-10(11)3/h5-7H,4,8H2,1-3H3.
What are the key properties of 2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide?
2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide has a molecular weight of 225.72 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide is sourced from PubChem (CID 131561562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).