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

C11H14ClNO3 — CID 82110100

IUPAC2-chloro-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CCl)cc1O
InChIInChI=1S/C11H14ClNO3/c1-16-10-3-2-8(6-9(10)14)4-5-13-11(15)7-12/h2-3,6,14H,4-5,7H2,1H3,(H,13,15)
InChIKeyHGJHKYGBPCQOBK-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.30
Rot. Bonds5

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

2-chloro-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]acetamide (PubChem CID 82110100) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]acetamide
PubChem CID82110100
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name2-chloro-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CCl)cc1O
InChIInChI=1S/C11H14ClNO3/c1-16-10-3-2-8(6-9(10)14)4-5-13-11(15)7-12/h2-3,6,14H,4-5,7H2,1H3,(H,13,15)
InChIKeyHGJHKYGBPCQOBK-UHFFFAOYSA-N
XLogP1.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.30
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

2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid
CID 174214574
propyl N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]carbamate
CID 23563491
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-(2-iodo-5-methoxyphenyl)propanamide
CID 11026837
1,7-bis(3-hydroxy-4-methoxyphenyl)heptane-3,5-dione
CID 22501459
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide
CID 110788746
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362
4-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]but-2-enamide
CID 163093777
3-[2-(4-methoxy-3-methylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163503
methyl 4-[2-[(2-chloroacetyl)amino]ethyl]benzoate
CID 68756324

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]acetamide (CID 82110100) is 2-chloro-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CCl)cc1O.
What is the InChIKey of 2-chloro-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]acetamide?
The InChIKey is HGJHKYGBPCQOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-16-10-3-2-8(6-9(10)14)4-5-13-11(15)7-12/h2-3,6,14H,4-5,7H2,1H3,(H,13,15).
What are the key properties of 2-chloro-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]acetamide?
2-chloro-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]acetamide has a molecular weight of 243.69 g/mol, XLogP of 1.30, 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-(3-hydroxy-4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 82110100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).