2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide

C19H13F4N3O — CID 113034912

IUPAC2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(C(F)(F)F)cc2)cn1)c1ccccc1F
InChIInChI=1S/C19H13F4N3O/c20-16-4-2-1-3-15(16)18(27)26-17-10-9-14(11-24-17)25-13-7-5-12(6-8-13)19(21,22)23/h1-11,25H,(H,24,26,27)
InChIKeyTXKIIMLAPGOJIV-UHFFFAOYSA-N
MW375.33 g/mol
LogP5.24
Rot. Bonds4

About 2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide

2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide (PubChem CID 113034912) has the molecular formula C19H13F4N3O and a molecular weight of 375.33 g/mol. Its IUPAC name is 2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
PubChem CID113034912
Molecular FormulaC19H13F4N3O
Molecular Weight375.33 g/mol
Exact Mass375.10
IUPAC Name2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(C(F)(F)F)cc2)cn1)c1ccccc1F
InChIInChI=1S/C19H13F4N3O/c20-16-4-2-1-3-15(16)18(27)26-17-10-9-14(11-24-17)25-13-7-5-12(6-8-13)19(21,22)23/h1-11,25H,(H,24,26,27)
InChIKeyTXKIIMLAPGOJIV-UHFFFAOYSA-N
XLogP5.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.33
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
CID 113034913
N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]thiophene-2-carboxamide
CID 113034907
N-[5-(tert-butylamino)-2-pyridinyl]-2-fluorobenzamide
CID 113029972
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-fluorobenzamide
CID 113036145
N-(2,6-difluorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200327
2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]benzamide
CID 113020153
N-(5-chloro-2-pyridinyl)-2-fluorobenzamide;hydrochloride
CID 163325720
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113020547
2-fluoro-N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113026995
N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide
CID 1449346
2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027089
2-fluoro-N-[5-(prop-2-enylamino)-2-pyridinyl]benzamide
CID 113023833

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide (CID 113034912) is 2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide is O=C(Nc1ccc(Nc2ccc(C(F)(F)F)cc2)cn1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide?
The InChIKey is TXKIIMLAPGOJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O/c20-16-4-2-1-3-15(16)18(27)26-17-10-9-14(11-24-17)25-13-7-5-12(6-8-13)19(21,22)23/h1-11,25H,(H,24,26,27).
What are the key properties of 2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide?
2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide has a molecular weight of 375.33 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide is sourced from PubChem (CID 113034912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).