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

C17H18ClNO3 — CID 110767041

IUPAC2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2ccccc2OC)cc1Cl
InChIInChI=1S/C17H18ClNO3/c1-21-15-6-4-3-5-13(15)11-19-17(20)10-12-7-8-16(22-2)14(18)9-12/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyTYGWQXHCNUUYOL-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.22
Rot. Bonds6

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

2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 110767041) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID110767041
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2ccccc2OC)cc1Cl
InChIInChI=1S/C17H18ClNO3/c1-21-15-6-4-3-5-13(15)11-19-17(20)10-12-7-8-16(22-2)14(18)9-12/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyTYGWQXHCNUUYOL-UHFFFAOYSA-N
XLogP3.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
N-[(2-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18189509
2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide
CID 110767026
2-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 96662357
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490
2-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 28711930
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
N-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide
CID 110771215
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide (CID 110767041) is 2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccc(CC(=O)NCc2ccccc2OC)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is TYGWQXHCNUUYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-21-15-6-4-3-5-13(15)11-19-17(20)10-12-7-8-16(22-2)14(18)9-12/h3-9H,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 319.79 g/mol, XLogP of 3.22, 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-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 110767041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).