2-(5-chloro-2-methoxyphenyl)-N-ethoxyacetamide

C11H14ClNO3 — CID 60700587

IUPAC2-(5-chloro-2-methoxyphenyl)-N-ethoxyacetamide
SMILESCCONC(=O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C11H14ClNO3/c1-3-16-13-11(14)7-8-6-9(12)4-5-10(8)15-2/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKeyNXJDXDIQMHXOLC-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.96
Rot. Bonds5

About 2-(5-chloro-2-methoxyphenyl)-N-ethoxyacetamide

2-(5-chloro-2-methoxyphenyl)-N-ethoxyacetamide (PubChem CID 60700587) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-ethoxyacetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-ethoxyacetamide
PubChem CID60700587
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-ethoxyacetamide
SMILESCCONC(=O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C11H14ClNO3/c1-3-16-13-11(14)7-8-6-9(12)4-5-10(8)15-2/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKeyNXJDXDIQMHXOLC-UHFFFAOYSA-N
XLogP1.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-cyclopentyloxyacetamide
CID 83202101
N-(2-amino-2-ethylbutyl)-2-(5-chloro-2-methoxyphenyl)acetamide
CID 119639672
2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide
CID 65312632
2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]butanoic acid
CID 43388208
2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 113351921
2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide
CID 110767257
2-(4-chlorophenyl)-N-ethoxyacetamide
CID 25353081
(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]pentanoic acid
CID 107563797
2-(5-chloro-2-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 8866171
N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-4-ethoxy-3-methoxybenzohydrazide
CID 9090512
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide
CID 115157863
2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 9092722

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-ethoxyacetamide?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-ethoxyacetamide (CID 60700587) is 2-(5-chloro-2-methoxyphenyl)-N-ethoxyacetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-ethoxyacetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-ethoxyacetamide is CCONC(=O)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-ethoxyacetamide?
The InChIKey is NXJDXDIQMHXOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-3-16-13-11(14)7-8-6-9(12)4-5-10(8)15-2/h4-6H,3,7H2,1-2H3,(H,13,14).
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-ethoxyacetamide?
2-(5-chloro-2-methoxyphenyl)-N-ethoxyacetamide has a molecular weight of 243.69 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-ethoxyacetamide is sourced from PubChem (CID 60700587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).