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

C12H16ClNO3 — CID 82109866

IUPAC2-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)Cl)c(O)c1
InChIInChI=1S/C12H16ClNO3/c1-8(13)12(16)14-6-5-9-3-4-10(17-2)7-11(9)15/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyWKFQANKKZTVMBN-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.69
Rot. Bonds5

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

2-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide (PubChem CID 82109866) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide
PubChem CID82109866
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name2-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)Cl)c(O)c1
InChIInChI=1S/C12H16ClNO3/c1-8(13)12(16)14-6-5-9-3-4-10(17-2)7-11(9)15/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyWKFQANKKZTVMBN-UHFFFAOYSA-N
XLogP1.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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'}

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Related Compounds

3-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide
CID 82109398
2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 103881563
(2S)-N'-[(2-hydroxy-4-methoxyphenyl)methyl]-2-methylbutanediamide
CID 173193675
5-methoxy-2-propylphenol
CID 12836519
N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide
CID 89189876
2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid
CID 115171143
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 110408765
(2S)-2-[(2-hydroxy-4-methoxyphenyl)methylamino]propanoic acid
CID 11096269
2-[(2-hydroxy-4-methoxyphenyl)methylamino]propanoic acid
CID 61499464
N-[2-(2-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide
CID 166424763
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119279764
(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 51921905

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide (CID 82109866) is 2-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)C(C)Cl)c(O)c1.
What is the InChIKey of 2-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide?
The InChIKey is WKFQANKKZTVMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-8(13)12(16)14-6-5-9-3-4-10(17-2)7-11(9)15/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 2-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide?
2-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide has a molecular weight of 257.72 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 82109866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).