2-(2,3,4,5,6-pentafluorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide

C15H7F8NO2 — CID 5010640

IUPAC2-(2,3,4,5,6-pentafluorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H7F8NO2/c16-10-8(11(17)13(19)14(20)12(10)18)5-9(25)24-6-1-3-7(4-2-6)26-15(21,22)23/h1-4H,5H2,(H,24,25)
InChIKeyFMAGMKGTFPTHDS-UHFFFAOYSA-N
MW385.21 g/mol
LogP4.46
Rot. Bonds4

About 2-(2,3,4,5,6-pentafluorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(2,3,4,5,6-pentafluorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 5010640) has the molecular formula C15H7F8NO2 and a molecular weight of 385.21 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentafluorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID5010640
Molecular FormulaC15H7F8NO2
Molecular Weight385.21 g/mol
Exact Mass385.03
IUPAC Name2-(2,3,4,5,6-pentafluorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H7F8NO2/c16-10-8(11(17)13(19)14(20)12(10)18)5-9(25)24-6-1-3-7(4-2-6)26-15(21,22)23/h1-4H,5H2,(H,24,25)
InChIKeyFMAGMKGTFPTHDS-UHFFFAOYSA-N
XLogP4.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.21
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
2-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2678277
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
N'-[4-(trifluoromethoxy)phenyl]propanediamide
CID 140529911
2-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2808201
2-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 18277342
2-naphthalen-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4844198
N-[4-(sulfamoylmethyl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 60541692
5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 79198633
2-(2,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9404556
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
[4-(trifluoromethoxy)phenyl]urea
CID 2779224

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 5010640) is 2-(2,3,4,5,6-pentafluorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2,3,4,5,6-pentafluorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2,3,4,5,6-pentafluorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(2,3,4,5,6-pentafluorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is FMAGMKGTFPTHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F8NO2/c16-10-8(11(17)13(19)14(20)12(10)18)5-9(25)24-6-1-3-7(4-2-6)26-15(21,22)23/h1-4H,5H2,(H,24,25).
What are the key properties of 2-(2,3,4,5,6-pentafluorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(2,3,4,5,6-pentafluorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 385.21 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentafluorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 5010640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).