2-(5-acetyl-2-methoxyphenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide

C19H19ClFNO3 — CID 18189527

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C19H19ClFNO3/c1-12(23)13-7-8-18(25-3)14(9-13)10-19(24)22(2)11-15-16(20)5-4-6-17(15)21/h4-9H,10-11H2,1-3H3
InChIKeyVOWIXIBDALWGNE-UHFFFAOYSA-N
MW363.82 g/mol
LogP3.89
Rot. Bonds6

About 2-(5-acetyl-2-methoxyphenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide

2-(5-acetyl-2-methoxyphenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 18189527) has the molecular formula C19H19ClFNO3 and a molecular weight of 363.82 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
PubChem CID18189527
Molecular FormulaC19H19ClFNO3
Molecular Weight363.82 g/mol
Exact Mass363.10
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C19H19ClFNO3/c1-12(23)13-7-8-18(25-3)14(9-13)10-19(24)22(2)11-15-16(20)5-4-6-17(15)21/h4-9H,10-11H2,1-3H3
InChIKeyVOWIXIBDALWGNE-UHFFFAOYSA-N
XLogP3.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-acetyl-2-methoxyphenyl)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 31152699
2-(5-acetyl-2-methoxyphenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 39735841
2-(2-acetyl-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 112774627
2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide
CID 78792072
2-(2-chloro-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 112778718
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 61115408
2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 43160866
2-(5-acetyl-2-methoxyphenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
CID 134013712
N-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
CID 94393869
2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 26731799
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide (CID 18189527) is 2-(5-acetyl-2-methoxyphenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide is COc1ccc(C(C)=O)cc1CC(=O)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is VOWIXIBDALWGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO3/c1-12(23)13-7-8-18(25-3)14(9-13)10-19(24)22(2)11-15-16(20)5-4-6-17(15)21/h4-9H,10-11H2,1-3H3.
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
2-(5-acetyl-2-methoxyphenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 363.82 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 18189527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).