2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide

C12H16ClNO3 — CID 110767026

IUPAC2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1ccc(OC)c(Cl)c1
InChIInChI=1S/C12H16ClNO3/c1-16-6-5-14-12(15)8-9-3-4-11(17-2)10(13)7-9/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyFJEISLRUZUOHAR-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.65
Rot. Bonds6

About 2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide

2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide (PubChem CID 110767026) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide
PubChem CID110767026
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1ccc(OC)c(Cl)c1
InChIInChI=1S/C12H16ClNO3/c1-16-6-5-14-12(15)8-9-3-4-11(17-2)10(13)7-9/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyFJEISLRUZUOHAR-UHFFFAOYSA-N
XLogP1.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 96662357
N-(2-methoxyethyl)-2-(4-methoxy-3-propan-2-ylphenyl)acetamide
CID 110767573
3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide
CID 109015076
2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110767041
2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 71910467
2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-oxoacetamide
CID 94281483
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]acetamide
CID 108575203
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843684
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide
CID 110766984
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667128
1-(3-chloro-4-methoxyphenyl)-3-sulfanylpropan-2-one
CID 58139123

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide (CID 110767026) is 2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cc1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide?
The InChIKey is FJEISLRUZUOHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-16-6-5-14-12(15)8-9-3-4-11(17-2)10(13)7-9/h3-4,7H,5-6,8H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide?
2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide has a molecular weight of 257.72 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 110767026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).