2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide

C12H16ClNO2 — CID 60933889

IUPAC2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)Cl)c(C)c1
InChIInChI=1S/C12H16ClNO2/c1-4-16-10-5-6-11(8(2)7-10)14-12(15)9(3)13/h5-7,9H,4H2,1-3H3,(H,14,15)
InChIKeyQTXVJWYMYGGROD-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.96
Rot. Bonds4

About 2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide

2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide (PubChem CID 60933889) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
PubChem CID60933889
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)Cl)c(C)c1
InChIInChI=1S/C12H16ClNO2/c1-4-16-10-5-6-11(8(2)7-10)14-12(15)9(3)13/h5-7,9H,4H2,1-3H3,(H,14,15)
InChIKeyQTXVJWYMYGGROD-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide 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-bromo-N-(4-ethoxy-2-methylphenyl)propanamide
CID 107904117
N-(4-ethoxy-2-methylphenyl)-2-methoxypropanamide
CID 47312187
2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride
CID 119298449
N-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide
CID 79205094
3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60933888
N-(4-chloro-2-methylphenyl)-2-(4-ethoxyphenoxy)propanamide
CID 53267118
2-amino-N-(4-ethoxy-2-methylphenyl)-5-methoxypentanamide
CID 81082492
1-(4-ethoxy-2-methylphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111453148
2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide
CID 43696996
4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide
CID 47267913
6-chloro-N-(4-ethoxy-2-methylphenyl)pyridazine-3-carboxamide
CID 61041819
3-chloro-2-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 62727955

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide?
The IUPAC name of 2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide (CID 60933889) is 2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide.
What is the SMILES notation for 2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide?
The canonical SMILES for 2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide is CCOc1ccc(NC(=O)C(C)Cl)c(C)c1.
What is the InChIKey of 2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide?
The InChIKey is QTXVJWYMYGGROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-4-16-10-5-6-11(8(2)7-10)14-12(15)9(3)13/h5-7,9H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide?
2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide has a molecular weight of 241.72 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide is sourced from PubChem (CID 60933889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).