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

C12H16ClNO2 — CID 60933888

IUPAC3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCCl)c(C)c1
InChIInChI=1S/C12H16ClNO2/c1-3-16-10-4-5-11(9(2)8-10)14-12(15)6-7-13/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyKGMJOBGJSPROBV-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.96
Rot. Bonds5

About 3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide

3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide (PubChem CID 60933888) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
PubChem CID60933888
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCCl)c(C)c1
InChIInChI=1S/C12H16ClNO2/c1-3-16-10-4-5-11(9(2)8-10)14-12(15)6-7-13/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyKGMJOBGJSPROBV-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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 3-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

N-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide
CID 79205094
3-(tert-butylamino)-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60928405
3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide
CID 4644339
2-[4-(butanoylamino)-3-methylphenoxy]acetic acid
CID 119231512
2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60933889
3-amino-N-(4-butoxy-2-methylphenyl)propanamide
CID 39353448
4-amino-N-(2-methyl-4-propoxyphenyl)pentanamide
CID 120560885
N-(4-ethoxy-2-methylphenyl)-2-methoxypropanamide
CID 47312187
2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide
CID 107904117
N-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109035105
2-(1-aminocyclopentyl)-N-(4-ethoxy-2-methylphenyl)acetamide
CID 64683884
2-chloro-N-(2,4-diethoxyphenyl)acetamide
CID 166409021

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide?
The IUPAC name of 3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide (CID 60933888) is 3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide.
What is the SMILES notation for 3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide?
The canonical SMILES for 3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide is CCOc1ccc(NC(=O)CCCl)c(C)c1.
What is the InChIKey of 3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide?
The InChIKey is KGMJOBGJSPROBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-3-16-10-4-5-11(9(2)8-10)14-12(15)6-7-13/h4-5,8H,3,6-7H2,1-2H3,(H,14,15).
What are the key properties of 3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide?
3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide has a molecular weight of 241.72 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide is sourced from PubChem (CID 60933888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).