2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide

C17H18ClNO3 — CID 110779915

IUPAC2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(OC)c(CNC(=O)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C17H18ClNO3/c1-21-15-6-7-16(22-2)13(10-15)11-19-17(20)9-12-4-3-5-14(18)8-12/h3-8,10H,9,11H2,1-2H3,(H,19,20)
InChIKeyUOAXHPUDDYWHNK-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.22
Rot. Bonds6

About 2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide

2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide (PubChem CID 110779915) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
PubChem CID110779915
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(OC)c(CNC(=O)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C17H18ClNO3/c1-21-15-6-7-16(22-2)13(10-15)11-19-17(20)9-12-4-3-5-14(18)8-12/h3-8,10H,9,11H2,1-2H3,(H,19,20)
InChIKeyUOAXHPUDDYWHNK-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

2-(3-chlorophenyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 110780207
2-(2,4-dichlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33100291
N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
2-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 18116287
N-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide
CID 62503557
2-(2,4-dichlorophenoxy)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33099359
2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide
CID 78851833
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
2-(2,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 78806562
2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10496902
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(3-chlorophenyl)methyl]acetamide
CID 9209889
N-(3-chlorophenyl)-5-[3-[(2,5-dimethoxyphenyl)methylamino]-3-oxopropyl]-1,3,4-thiadiazole-2-carboxamide
CID 46354742

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide (CID 110779915) is 2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide is COc1ccc(OC)c(CNC(=O)Cc2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide?
The InChIKey is UOAXHPUDDYWHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-21-15-6-7-16(22-2)13(10-15)11-19-17(20)9-12-4-3-5-14(18)8-12/h3-8,10H,9,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide?
2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)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-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 110779915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).