N-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

C15H10ClF4NO2 — CID 100757682

IUPACN-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H10ClF4NO2/c16-12-7-10(4-5-13(12)17)21-14(22)8-23-11-3-1-2-9(6-11)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyBYFJNYJLDISTSI-UHFFFAOYSA-N
MW347.70 g/mol
LogP4.52
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

N-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 100757682) has the molecular formula C15H10ClF4NO2 and a molecular weight of 347.70 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID100757682
Molecular FormulaC15H10ClF4NO2
Molecular Weight347.70 g/mol
Exact Mass347.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H10ClF4NO2/c16-12-7-10(4-5-13(12)17)21-14(22)8-23-11-3-1-2-9(6-11)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyBYFJNYJLDISTSI-UHFFFAOYSA-N
XLogP4.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.70
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757579
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
2-[3-(aminomethyl)phenoxy]-N-(3-chloro-4-fluorophenyl)acetamide
CID 106485098
N-(3-chloro-4-fluorophenyl)-2-(3-formylphenoxy)acetamide
CID 17202080
N-(5-acetamido-2-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55915573
3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 18084407
N-(3-prop-2-enoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 95162922
2-(3-chloro-4-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7751222
N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34280640
N-(3-chloro-4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 2709063
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 16522746

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 100757682) is N-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide is O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is BYFJNYJLDISTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF4NO2/c16-12-7-10(4-5-13(12)17)21-14(22)8-23-11-3-1-2-9(6-11)15(18,19)20/h1-7H,8H2,(H,21,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 347.70 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 100757682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).