2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide

C17H18ClNO3 — CID 9242490

IUPAC2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2ccccc2Cl)cc1OC
InChIInChI=1S/C17H18ClNO3/c1-21-15-8-7-12(9-16(15)22-2)11-19-17(20)10-13-5-3-4-6-14(13)18/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyYVWOJPHDGGMRLY-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.22
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide

2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 9242490) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
PubChem CID9242490
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2ccccc2Cl)cc1OC
InChIInChI=1S/C17H18ClNO3/c1-21-15-8-7-12(9-16(15)22-2)11-19-17(20)10-13-5-3-4-6-14(13)18/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyYVWOJPHDGGMRLY-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

N-[(3-acetamido-4-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide
CID 110783955
N-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
CID 109021346
N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
2-(4-chlorophenyl)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]acetamide
CID 112994111
2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2460404
1-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111175564
N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide
CID 108946228
1-[(2-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 16573885
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110767041
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28544586
3-[(2-chlorophenyl)methylsulfanyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
CID 4988113

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide (CID 9242490) is 2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)Cc2ccccc2Cl)cc1OC.
What is the InChIKey of 2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is YVWOJPHDGGMRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-21-15-8-7-12(9-16(15)22-2)11-19-17(20)10-13-5-3-4-6-14(13)18/h3-9H,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
2-(2-chlorophenyl)-N-[(3,4-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-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 9242490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).