4-fluoro-N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]-3-(trifluoromethyl)phenyl]benzamide

C22H17F4N3O3 — CID 78885374

IUPAC4-fluoro-N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]-3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(CCn1ccccc1=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C22H17F4N3O3/c23-15-6-4-14(5-7-15)21(32)27-16-8-9-18(17(13-16)22(24,25)26)28-19(30)10-12-29-11-2-1-3-20(29)31/h1-9,11,13H,10,12H2,(H,27,32)(H,28,30)
InChIKeyJQCAEQWPIBUQOU-UHFFFAOYSA-N
MW447.39 g/mol
LogP4.29
Rot. Bonds6

About 4-fluoro-N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]-3-(trifluoromethyl)phenyl]benzamide

4-fluoro-N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 78885374) has the molecular formula C22H17F4N3O3 and a molecular weight of 447.39 g/mol. Its IUPAC name is 4-fluoro-N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]-3-(trifluoromethyl)phenyl]benzamide
PubChem CID78885374
Molecular FormulaC22H17F4N3O3
Molecular Weight447.39 g/mol
Exact Mass447.12
IUPAC Name4-fluoro-N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]-3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(CCn1ccccc1=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C22H17F4N3O3/c23-15-6-4-14(5-7-15)21(32)27-16-8-9-18(17(13-16)22(24,25)26)28-19(30)10-12-29-11-2-1-3-20(29)31/h1-9,11,13H,10,12H2,(H,27,32)(H,28,30)
InChIKeyJQCAEQWPIBUQOU-UHFFFAOYSA-N
XLogP4.29
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.39
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[4-[4-(4-methylphenyl)butanoylamino]-3-(trifluoromethyl)phenyl]benzamide
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N-[4-[3-(2,4-dimethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
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N-(2-amino-4-fluorophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 16788694
N-[4-[(4-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
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4-fluoro-N-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 60537095
N-(5-fluoro-2-methylphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979424
N-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 23098202
N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 55764258
2-fluoro-N-[4-[(4-pyrazol-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55765236
N-[3-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 18904197
4-fluoro-N-[4-[[2-(3-methoxyphenoxy)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 112845502
4-fluoro-N-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]-3-(trifluoromethyl)phenyl]benzamide (CID 78885374) is 4-fluoro-N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]-3-(trifluoromethyl)phenyl]benzamide is O=C(CCn1ccccc1=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F.
What is the InChIKey of 4-fluoro-N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is JQCAEQWPIBUQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N3O3/c23-15-6-4-14(5-7-15)21(32)27-16-8-9-18(17(13-16)22(24,25)26)28-19(30)10-12-29-11-2-1-3-20(29)31/h1-9,11,13H,10,12H2,(H,27,32)(H,28,30).
What are the key properties of 4-fluoro-N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]-3-(trifluoromethyl)phenyl]benzamide?
4-fluoro-N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 447.39 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 78885374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).