2,4,6-trifluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide

C20H11F7N2O — CID 90395970

IUPAC2,4,6-trifluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(F)cc2C(F)(F)F)cc1)c1c(F)cc(F)cc1F
InChIInChI=1S/C20H11F7N2O/c21-10-1-6-17(14(7-10)20(25,26)27)28-12-2-4-13(5-3-12)29-19(30)18-15(23)8-11(22)9-16(18)24/h1-9,28H,(H,29,30)
InChIKeyFEMMNJSJQUWKGR-UHFFFAOYSA-N
MW428.31 g/mol
LogP6.26
Rot. Bonds4

About 2,4,6-trifluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide

2,4,6-trifluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide (PubChem CID 90395970) has the molecular formula C20H11F7N2O and a molecular weight of 428.31 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide
PubChem CID90395970
Molecular FormulaC20H11F7N2O
Molecular Weight428.31 g/mol
Exact Mass428.08
IUPAC Name2,4,6-trifluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(F)cc2C(F)(F)F)cc1)c1c(F)cc(F)cc1F
InChIInChI=1S/C20H11F7N2O/c21-10-1-6-17(14(7-10)20(25,26)27)28-12-2-4-13(5-3-12)29-19(30)18-15(23)8-11(22)9-16(18)24/h1-9,28H,(H,29,30)
InChIKeyFEMMNJSJQUWKGR-UHFFFAOYSA-N
XLogP6.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.31
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide
CID 90396008
N-(4-bromophenyl)-2,4,6-trifluorobenzamide
CID 65098972
3,5-difluoro-N-[3-fluoro-4-[2-(trifluoromethyl)anilino]phenyl]pyridine-4-carboxamide
CID 90396026
2,4,6-trifluoro-N-[4-(1-hydroxyethyl)phenyl]benzamide
CID 65100671
4-[[4-fluoro-2-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
CID 68919039
N-(2,4-difluorophenyl)-5-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200283
N-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide
CID 112989406
1-N-(4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935755
5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198992
N-[4-[4-chloro-2-(trifluoromethyl)anilino]phenyl]propanamide
CID 112989530
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 59677530
2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
CID 28560319

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide?
The IUPAC name of 2,4,6-trifluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide (CID 90395970) is 2,4,6-trifluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide.
What is the SMILES notation for 2,4,6-trifluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide?
The canonical SMILES for 2,4,6-trifluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide is O=C(Nc1ccc(Nc2ccc(F)cc2C(F)(F)F)cc1)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide?
The InChIKey is FEMMNJSJQUWKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F7N2O/c21-10-1-6-17(14(7-10)20(25,26)27)28-12-2-4-13(5-3-12)29-19(30)18-15(23)8-11(22)9-16(18)24/h1-9,28H,(H,29,30).
What are the key properties of 2,4,6-trifluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide?
2,4,6-trifluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide has a molecular weight of 428.31 g/mol, XLogP of 6.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide is sourced from PubChem (CID 90395970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).