3,5-difluoro-N-[3-fluoro-4-[2-(trifluoromethyl)anilino]phenyl]pyridine-4-carboxamide

C19H11F6N3O — CID 90396026

IUPAC3,5-difluoro-N-[3-fluoro-4-[2-(trifluoromethyl)anilino]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2C(F)(F)F)c(F)c1)c1c(F)cncc1F
InChIInChI=1S/C19H11F6N3O/c20-12-7-10(27-18(29)17-13(21)8-26-9-14(17)22)5-6-16(12)28-15-4-2-1-3-11(15)19(23,24)25/h1-9,28H,(H,27,29)
InChIKeyHASRJIXAVJEQCK-UHFFFAOYSA-N
MW411.31 g/mol
LogP5.51
Rot. Bonds4

About 3,5-difluoro-N-[3-fluoro-4-[2-(trifluoromethyl)anilino]phenyl]pyridine-4-carboxamide

3,5-difluoro-N-[3-fluoro-4-[2-(trifluoromethyl)anilino]phenyl]pyridine-4-carboxamide (PubChem CID 90396026) has the molecular formula C19H11F6N3O and a molecular weight of 411.31 g/mol. Its IUPAC name is 3,5-difluoro-N-[3-fluoro-4-[2-(trifluoromethyl)anilino]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,5-difluoro-N-[3-fluoro-4-[2-(trifluoromethyl)anilino]phenyl]pyridine-4-carboxamide
PubChem CID90396026
Molecular FormulaC19H11F6N3O
Molecular Weight411.31 g/mol
Exact Mass411.08
IUPAC Name3,5-difluoro-N-[3-fluoro-4-[2-(trifluoromethyl)anilino]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2C(F)(F)F)c(F)c1)c1c(F)cncc1F
InChIInChI=1S/C19H11F6N3O/c20-12-7-10(27-18(29)17-13(21)8-26-9-14(17)22)5-6-16(12)28-15-4-2-1-3-11(15)19(23,24)25/h1-9,28H,(H,27,29)
InChIKeyHASRJIXAVJEQCK-UHFFFAOYSA-N
XLogP5.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.31
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-5-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200283
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
N-(4-acetylphenyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245712
3-N-phenyl-5-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109107800
2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109270001
N-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109233370
3,5-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]pyridine-4-carboxamide
CID 90396021
2-fluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide
CID 90396008
1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859814
5-(propan-2-ylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223495
5-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109200277

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[3-fluoro-4-[2-(trifluoromethyl)anilino]phenyl]pyridine-4-carboxamide?
The IUPAC name of 3,5-difluoro-N-[3-fluoro-4-[2-(trifluoromethyl)anilino]phenyl]pyridine-4-carboxamide (CID 90396026) is 3,5-difluoro-N-[3-fluoro-4-[2-(trifluoromethyl)anilino]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3,5-difluoro-N-[3-fluoro-4-[2-(trifluoromethyl)anilino]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3,5-difluoro-N-[3-fluoro-4-[2-(trifluoromethyl)anilino]phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(Nc2ccccc2C(F)(F)F)c(F)c1)c1c(F)cncc1F.
What is the InChIKey of 3,5-difluoro-N-[3-fluoro-4-[2-(trifluoromethyl)anilino]phenyl]pyridine-4-carboxamide?
The InChIKey is HASRJIXAVJEQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F6N3O/c20-12-7-10(27-18(29)17-13(21)8-26-9-14(17)22)5-6-16(12)28-15-4-2-1-3-11(15)19(23,24)25/h1-9,28H,(H,27,29).
What are the key properties of 3,5-difluoro-N-[3-fluoro-4-[2-(trifluoromethyl)anilino]phenyl]pyridine-4-carboxamide?
3,5-difluoro-N-[3-fluoro-4-[2-(trifluoromethyl)anilino]phenyl]pyridine-4-carboxamide has a molecular weight of 411.31 g/mol, XLogP of 5.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[3-fluoro-4-[2-(trifluoromethyl)anilino]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90396026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).