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

C17H18ClNO3 — CID 110783322

IUPACN-[(2-chloro-4-methoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
SMILESCOc1ccc(CNC(=O)COc2ccccc2C)c(Cl)c1
InChIInChI=1S/C17H18ClNO3/c1-12-5-3-4-6-16(12)22-11-17(20)19-10-13-7-8-14(21-2)9-15(13)18/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyIRVNUBZIIQIPAF-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.35
Rot. Bonds6

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

N-[(2-chloro-4-methoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide (PubChem CID 110783322) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[(2-chloro-4-methoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-methoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
PubChem CID110783322
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-[(2-chloro-4-methoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
SMILESCOc1ccc(CNC(=O)COc2ccccc2C)c(Cl)c1
InChIInChI=1S/C17H18ClNO3/c1-12-5-3-4-6-16(12)22-11-17(20)19-10-13-7-8-14(21-2)9-15(13)18/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyIRVNUBZIIQIPAF-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 94043014
4-methoxy-2-[2-[(2-methylphenyl)methylamino]-2-oxoethoxy]benzamide
CID 47014361
N-[(2-chloro-4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 115167187
N-[(2-chlorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473645
N-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 110789762
N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide
CID 90548986
N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713902
N-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978021
N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 46778184
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 54785534
2-(2,4-dichlorophenoxy)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33099359
1-amino-3-[(2-chloro-4-methoxyphenyl)methyl]urea
CID 115192660

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(2-chloro-4-methoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide (CID 110783322) is N-[(2-chloro-4-methoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(2-chloro-4-methoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(2-chloro-4-methoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide is COc1ccc(CNC(=O)COc2ccccc2C)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-methoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is IRVNUBZIIQIPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-12-5-3-4-6-16(12)22-11-17(20)19-10-13-7-8-14(21-2)9-15(13)18/h3-9H,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-[(2-chloro-4-methoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide?
N-[(2-chloro-4-methoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 319.79 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 110783322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).