2-(2-acetyl-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide

C18H16ClF2NO3 — CID 112774627

IUPAC2-(2-acetyl-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)c1cc(F)ccc1OCC(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H16ClF2NO3/c1-11(23)13-8-12(20)6-7-17(13)25-10-18(24)22(2)9-14-15(19)4-3-5-16(14)21/h3-8H,9-10H2,1-2H3
InChIKeySBGAAAVAYNLATO-UHFFFAOYSA-N
MW367.78 g/mol
LogP3.86
Rot. Bonds6

About 2-(2-acetyl-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide

2-(2-acetyl-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 112774627) has the molecular formula C18H16ClF2NO3 and a molecular weight of 367.78 g/mol. Its IUPAC name is 2-(2-acetyl-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
PubChem CID112774627
Molecular FormulaC18H16ClF2NO3
Molecular Weight367.78 g/mol
Exact Mass367.08
IUPAC Name2-(2-acetyl-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)c1cc(F)ccc1OCC(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H16ClF2NO3/c1-11(23)13-8-12(20)6-7-17(13)25-10-18(24)22(2)9-14-15(19)4-3-5-16(14)21/h3-8H,9-10H2,1-2H3
InChIKeySBGAAAVAYNLATO-UHFFFAOYSA-N
XLogP3.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.78
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 112778718
1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 78906393
2-(2-benzylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 7936316
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide
CID 38551566
2-(5-acetyl-2-methoxyphenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 18189527
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18080513
N-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 18168559
2-(2-acetyl-4-chlorophenoxy)-N-ethyl-N-methylacetamide
CID 60758125
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylbenzamide
CID 55997962
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 55315127
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 55314998

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide (CID 112774627) is 2-(2-acetyl-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-acetyl-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-acetyl-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide is CC(=O)c1cc(F)ccc1OCC(=O)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-acetyl-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is SBGAAAVAYNLATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2NO3/c1-11(23)13-8-12(20)6-7-17(13)25-10-18(24)22(2)9-14-15(19)4-3-5-16(14)21/h3-8H,9-10H2,1-2H3.
What are the key properties of 2-(2-acetyl-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
2-(2-acetyl-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 367.78 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 112774627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).