2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide

C12H16ClNO2 — CID 103881563

IUPAC2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(CCNC(=O)C(C)Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-9(13)12(15)14-7-6-10-4-3-5-11(8-10)16-2/h3-5,8-9H,6-7H2,1-2H3,(H,14,15)
InChIKeyRKBKHHSFWKIANF-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.98
Rot. Bonds5

About 2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide

2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide (PubChem CID 103881563) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide
PubChem CID103881563
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(CCNC(=O)C(C)Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-9(13)12(15)14-7-6-10-4-3-5-11(8-10)16-2/h3-5,8-9H,6-7H2,1-2H3,(H,14,15)
InChIKeyRKBKHHSFWKIANF-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[2-(3-methoxyphenyl)ethyl]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-[2-(3-methoxyphenyl)ethyl]propanamide
CID 107906044
2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 107851262
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
2-chloro-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314292
N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide
CID 108941583
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 111536720
2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 115186724
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
2-cyclopentyl-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110355667
2-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide
CID 82109866
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
2-(3-methoxyphenoxy)-N-(2-phenylethyl)propanamide
CID 19203903

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide (CID 103881563) is 2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide is COc1cccc(CCNC(=O)C(C)Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The InChIKey is RKBKHHSFWKIANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-9(13)12(15)14-7-6-10-4-3-5-11(8-10)16-2/h3-5,8-9H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide?
2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide has a molecular weight of 241.72 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 103881563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).