3-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide

C12H16ClNO3 — CID 82109398

IUPAC3-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCCl)c(O)c1
InChIInChI=1S/C12H16ClNO3/c1-17-10-3-2-9(11(15)8-10)5-7-14-12(16)4-6-13/h2-3,8,15H,4-7H2,1H3,(H,14,16)
InChIKeySTWUJGZAXRQDIM-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.69
Rot. Bonds6

About 3-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide

3-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide (PubChem CID 82109398) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide
PubChem CID82109398
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name3-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCCl)c(O)c1
InChIInChI=1S/C12H16ClNO3/c1-17-10-3-2-9(11(15)8-10)5-7-14-12(16)4-6-13/h2-3,8,15H,4-7H2,1H3,(H,14,16)
InChIKeySTWUJGZAXRQDIM-UHFFFAOYSA-N
XLogP1.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[2-(2-hydroxy-4-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-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide
CID 82109866
N-[2-(2-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide
CID 166424763
3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide
CID 115153007
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 3613637
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-sulfanylpropanamide
CID 115168006
4-[(2-hydroxy-4-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 20993607
N-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-chloroacetamide
CID 166415743
2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide
CID 96676269
3-chloro-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide
CID 115162661
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 94687467
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methylsulfonylpropanamide
CID 110607051
2-(3,4-dihydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113199037

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide (CID 82109398) is 3-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)CCCl)c(O)c1.
What is the InChIKey of 3-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide?
The InChIKey is STWUJGZAXRQDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-17-10-3-2-9(11(15)8-10)5-7-14-12(16)4-6-13/h2-3,8,15H,4-7H2,1H3,(H,14,16).
What are the key properties of 3-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide?
3-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide has a molecular weight of 257.72 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 82109398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).