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

C20H13F5N2O — CID 90396008

IUPAC2-fluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(F)cc2C(F)(F)F)cc1)c1ccccc1F
InChIInChI=1S/C20H13F5N2O/c21-12-5-10-18(16(11-12)20(23,24)25)26-13-6-8-14(9-7-13)27-19(28)15-3-1-2-4-17(15)22/h1-11,26H,(H,27,28)
InChIKeyLFVWLWGZODRUOF-UHFFFAOYSA-N
MW392.33 g/mol
LogP5.98
Rot. Bonds4

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

2-fluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide (PubChem CID 90396008) has the molecular formula C20H13F5N2O and a molecular weight of 392.33 g/mol. Its IUPAC name is 2-fluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide
PubChem CID90396008
Molecular FormulaC20H13F5N2O
Molecular Weight392.33 g/mol
Exact Mass392.09
IUPAC Name2-fluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(F)cc2C(F)(F)F)cc1)c1ccccc1F
InChIInChI=1S/C20H13F5N2O/c21-12-5-10-18(16(11-12)20(23,24)25)26-13-6-8-14(9-7-13)27-19(28)15-3-1-2-4-17(15)22/h1-11,26H,(H,27,28)
InChIKeyLFVWLWGZODRUOF-UHFFFAOYSA-N
XLogP5.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.33
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-trifluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide
CID 90395970
2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]benzamide
CID 113020153
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide
CID 55765621
N-(2,4-difluorophenyl)-2-(trifluoromethyl)benzamide
CID 2524391
N-[4-[[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765591
2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide
CID 151067192
2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
CID 28560319
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide
CID 55765678
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 52638821
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 55765460
N-[4-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-fluorobenzamide
CID 178100479

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide (CID 90396008) is 2-fluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide is O=C(Nc1ccc(Nc2ccc(F)cc2C(F)(F)F)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide?
The InChIKey is LFVWLWGZODRUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F5N2O/c21-12-5-10-18(16(11-12)20(23,24)25)26-13-6-8-14(9-7-13)27-19(28)15-3-1-2-4-17(15)22/h1-11,26H,(H,27,28).
What are the key properties of 2-fluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide?
2-fluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide has a molecular weight of 392.33 g/mol, XLogP of 5.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide is sourced from PubChem (CID 90396008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).