2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]-N-methylacetamide

C19H20ClNO4 — CID 26731799

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C19H20ClNO4/c1-13(22)14-8-9-17(18(10-14)24-3)25-12-19(23)21(2)11-15-6-4-5-7-16(15)20/h4-10H,11-12H2,1-3H3
InChIKeyGNSQZKMHNCDATK-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.59
Rot. Bonds7

About 2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]-N-methylacetamide

2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]-N-methylacetamide (PubChem CID 26731799) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
PubChem CID26731799
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C19H20ClNO4/c1-13(22)14-8-9-17(18(10-14)24-3)25-12-19(23)21(2)11-15-6-4-5-7-16(15)20/h4-10H,11-12H2,1-3H3
InChIKeyGNSQZKMHNCDATK-UHFFFAOYSA-N
XLogP3.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7486792
N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 17480746
N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
CID 112790343
N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-propan-2-yloxybenzamide
CID 112790335
2-(3-acetylphenoxy)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide
CID 55328875
2-(5-bromo-2-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 112828375
2-(2-methoxy-4-prop-1-enylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78766207
4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 7780134
N-[(2-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
CID 86907560
N-[(2-chlorophenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide
CID 112790388
3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 112790252
2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-tert-butylacetamide
CID 8808299

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]-N-methylacetamide (CID 26731799) is 2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]-N-methylacetamide is COc1cc(C(C)=O)ccc1OCC(=O)N(C)Cc1ccccc1Cl.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]-N-methylacetamide?
The InChIKey is GNSQZKMHNCDATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-13(22)14-8-9-17(18(10-14)24-3)25-12-19(23)21(2)11-15-6-4-5-7-16(15)20/h4-10H,11-12H2,1-3H3.
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]-N-methylacetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]-N-methylacetamide has a molecular weight of 361.83 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 26731799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).