N-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide

C11H14ClNO3 — CID 115139828

IUPACN-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide
SMILESCCOc1ccc(CNC(=O)CO)cc1Cl
InChIInChI=1S/C11H14ClNO3/c1-2-16-10-4-3-8(5-9(10)12)6-13-11(15)7-14/h3-5,14H,2,6-7H2,1H3,(H,13,15)
InChIKeyLKBBCYUNXKQIND-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.35
Rot. Bonds5

About N-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide

N-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide (PubChem CID 115139828) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is N-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide
PubChem CID115139828
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC NameN-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide
SMILESCCOc1ccc(CNC(=O)CO)cc1Cl
InChIInChI=1S/C11H14ClNO3/c1-2-16-10-4-3-8(5-9(10)12)6-13-11(15)7-14/h3-5,14H,2,6-7H2,1H3,(H,13,15)
InChIKeyLKBBCYUNXKQIND-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-ethoxyphenyl)methyl]carbamoyl chloride
CID 115194640
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N-[(3-chloro-4-ethoxyphenyl)methyl]-1-cyanoformamide
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2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide
CID 99993644
N-[(3-chloro-4-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 110782051
N-(2-aminoethyl)-2-(3-chloro-4-ethoxyphenyl)acetamide
CID 95464919
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-(hydroxymethyl)azetidine-1-carboxamide
CID 146106391
4-[(3-chloro-4-ethoxyphenyl)methylamino]butanoic acid
CID 102536590
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17156923
3-[(3-chloro-4-methoxyphenyl)methylamino]-3-oxopropanoic acid
CID 115163377
3-(3-chloro-4-ethoxyphenyl)propanoic acid
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CID 17158567

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide?
The IUPAC name of N-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide (CID 115139828) is N-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide?
The canonical SMILES for N-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide is CCOc1ccc(CNC(=O)CO)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide?
The InChIKey is LKBBCYUNXKQIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-2-16-10-4-3-8(5-9(10)12)6-13-11(15)7-14/h3-5,14H,2,6-7H2,1H3,(H,13,15).
What are the key properties of N-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide?
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide has a molecular weight of 243.69 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide is sourced from PubChem (CID 115139828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).