2-(3-chloro-4-fluorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide

C16H12ClF4NO2S — CID 55556106

IUPAC2-(3-chloro-4-fluorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
SMILESO=C(COc1ccc(F)c(Cl)c1)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C16H12ClF4NO2S/c17-11-7-10(5-6-12(11)18)24-8-15(23)22-13-3-1-2-4-14(13)25-9-16(19,20)21/h1-7H,8-9H2,(H,22,23)
InChIKeyPJDYCOBGSHXMOW-UHFFFAOYSA-N
MW393.79 g/mol
LogP5.15
Rot. Bonds6

About 2-(3-chloro-4-fluorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide

2-(3-chloro-4-fluorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide (PubChem CID 55556106) has the molecular formula C16H12ClF4NO2S and a molecular weight of 393.79 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
PubChem CID55556106
Molecular FormulaC16H12ClF4NO2S
Molecular Weight393.79 g/mol
Exact Mass393.02
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
SMILESO=C(COc1ccc(F)c(Cl)c1)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C16H12ClF4NO2S/c17-11-7-10(5-6-12(11)18)24-8-15(23)22-13-3-1-2-4-14(13)25-9-16(19,20)21/h1-7H,8-9H2,(H,22,23)
InChIKeyPJDYCOBGSHXMOW-UHFFFAOYSA-N
XLogP5.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.79
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 16609515
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzoic acid
CID 11438700
N-(3-acetamido-2-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 38228993
N-(2-amino-5-chlorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 63878984
4-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 16623224
N-(4-bromo-2-fluorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 4270758
2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7751282
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
2-(4-chloro-3-methylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
CID 2594661
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 9229573
2-(4-fluorophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]acetamide
CID 17132200
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-2-phenylacetamide
CID 56811334

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide (CID 55556106) is 2-(3-chloro-4-fluorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide is O=C(COc1ccc(F)c(Cl)c1)Nc1ccccc1SCC(F)(F)F.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
The InChIKey is PJDYCOBGSHXMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF4NO2S/c17-11-7-10(5-6-12(11)18)24-8-15(23)22-13-3-1-2-4-14(13)25-9-16(19,20)21/h1-7H,8-9H2,(H,22,23).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
2-(3-chloro-4-fluorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide has a molecular weight of 393.79 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 55556106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).