2-(2-acetylphenoxy)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide

C18H17Cl2NO3 — CID 112795602

IUPAC2-(2-acetylphenoxy)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)c1ccccc1OCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2NO3/c1-12(22)14-5-3-4-6-17(14)24-11-18(23)21(2)10-13-7-8-15(19)16(20)9-13/h3-9H,10-11H2,1-2H3
InChIKeyHIASDSRCKOLRTR-UHFFFAOYSA-N
MW366.24 g/mol
LogP4.23
Rot. Bonds6

About 2-(2-acetylphenoxy)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide

2-(2-acetylphenoxy)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide (PubChem CID 112795602) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is 2-(2-acetylphenoxy)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-acetylphenoxy)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
PubChem CID112795602
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Name2-(2-acetylphenoxy)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)c1ccccc1OCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2NO3/c1-12(22)14-5-3-4-6-17(14)24-11-18(23)21(2)10-13-7-8-15(19)16(20)9-13/h3-9H,10-11H2,1-2H3
InChIKeyHIASDSRCKOLRTR-UHFFFAOYSA-N
XLogP4.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate
CID 9289386
N-[(3,4-dichlorophenyl)methyl]-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide
CID 9199652
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide
CID 112779333
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide
CID 55403495
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 9343700
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 112792499
N-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide
CID 112778951
2-(2-acetamidophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 7867334
2-(2-chloro-5-methylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112775473
2-(2-acetyl-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 112774627
2-(2,5-dichlorophenoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 112774399
N-[(3,4-dichlorophenyl)methyl]-4-ethoxy-N-methylbutanamide
CID 86990999

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylphenoxy)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2-acetylphenoxy)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide (CID 112795602) is 2-(2-acetylphenoxy)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-acetylphenoxy)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-acetylphenoxy)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide is CC(=O)c1ccccc1OCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(2-acetylphenoxy)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
The InChIKey is HIASDSRCKOLRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-12(22)14-5-3-4-6-17(14)24-11-18(23)21(2)10-13-7-8-15(19)16(20)9-13/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-(2-acetylphenoxy)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
2-(2-acetylphenoxy)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide has a molecular weight of 366.24 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylphenoxy)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 112795602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).