4-fluoro-N-[1-hydroxy-3-(methylamino)-3-oxo-1-pyridin-3-ylpropan-2-yl]-2-(trifluoromethyl)benzamide

C17H15F4N3O3 — CID 59718431

IUPAC4-fluoro-N-[1-hydroxy-3-(methylamino)-3-oxo-1-pyridin-3-ylpropan-2-yl]-2-(trifluoromethyl)benzamide
SMILESCNC(=O)C(NC(=O)c1ccc(F)cc1C(F)(F)F)C(O)c1cccnc1
InChIInChI=1S/C17H15F4N3O3/c1-22-16(27)13(14(25)9-3-2-6-23-8-9)24-15(26)11-5-4-10(18)7-12(11)17(19,20)21/h2-8,13-14,25H,1H3,(H,22,27)(H,24,26)
InChIKeyJBCSVXIXAUNGJF-UHFFFAOYSA-N
MW385.32 g/mol
LogP1.82
Rot. Bonds5

About 4-fluoro-N-[1-hydroxy-3-(methylamino)-3-oxo-1-pyridin-3-ylpropan-2-yl]-2-(trifluoromethyl)benzamide

4-fluoro-N-[1-hydroxy-3-(methylamino)-3-oxo-1-pyridin-3-ylpropan-2-yl]-2-(trifluoromethyl)benzamide (PubChem CID 59718431) has the molecular formula C17H15F4N3O3 and a molecular weight of 385.32 g/mol. Its IUPAC name is 4-fluoro-N-[1-hydroxy-3-(methylamino)-3-oxo-1-pyridin-3-ylpropan-2-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-hydroxy-3-(methylamino)-3-oxo-1-pyridin-3-ylpropan-2-yl]-2-(trifluoromethyl)benzamide
PubChem CID59718431
Molecular FormulaC17H15F4N3O3
Molecular Weight385.32 g/mol
Exact Mass385.10
IUPAC Name4-fluoro-N-[1-hydroxy-3-(methylamino)-3-oxo-1-pyridin-3-ylpropan-2-yl]-2-(trifluoromethyl)benzamide
SMILESCNC(=O)C(NC(=O)c1ccc(F)cc1C(F)(F)F)C(O)c1cccnc1
InChIInChI=1S/C17H15F4N3O3/c1-22-16(27)13(14(25)9-3-2-6-23-8-9)24-15(26)11-5-4-10(18)7-12(11)17(19,20)21/h2-8,13-14,25H,1H3,(H,22,27)(H,24,26)
InChIKeyJBCSVXIXAUNGJF-UHFFFAOYSA-N
XLogP1.82
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,4-dihydroxy-1-(methylamino)-1-oxobutan-2-yl]-4-fluoro-2-(trifluoromethyl)benzamide
CID 59432149
4-fluoro-N-[1-(2-hydroxy-1H-indol-3-yl)-1,3-bis(methylamino)-3-oxopropan-2-yl]-2-(trifluoromethyl)benzamide
CID 16723107
[2-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-3-(methylamino)-3-oxo-1-thiophen-2-ylpropyl] N,N-dimethylcarbamate
CID 11525462
2-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-3,4-dihydroxybutanoic acid
CID 142778835
4-fluoro-N-[3-methyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]benzamide
CID 18168796
[1-(3-fluoro-2-methylphenyl)-2-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-3-(methylamino)-3-oxopropyl] N,N-dimethylcarbamate
CID 67356337
[(Z)-2-chloro-4-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-5-(methylamino)-5-oxo-1-phenylpent-1-en-3-yl] N,N-dimethylcarbamate
CID 59432163
[2-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-3-(methylamino)-1-(2-methylphenyl)-3-oxopropyl] N-methyl-N-phenylcarbamate
CID 58899083
2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 79778156
4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974
4-amino-2-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 107794747
N-methyl-3-(trifluoromethyl)pyridine-4-carboxamide
CID 58243648

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-hydroxy-3-(methylamino)-3-oxo-1-pyridin-3-ylpropan-2-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-[1-hydroxy-3-(methylamino)-3-oxo-1-pyridin-3-ylpropan-2-yl]-2-(trifluoromethyl)benzamide (CID 59718431) is 4-fluoro-N-[1-hydroxy-3-(methylamino)-3-oxo-1-pyridin-3-ylpropan-2-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[1-hydroxy-3-(methylamino)-3-oxo-1-pyridin-3-ylpropan-2-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-[1-hydroxy-3-(methylamino)-3-oxo-1-pyridin-3-ylpropan-2-yl]-2-(trifluoromethyl)benzamide is CNC(=O)C(NC(=O)c1ccc(F)cc1C(F)(F)F)C(O)c1cccnc1.
What is the InChIKey of 4-fluoro-N-[1-hydroxy-3-(methylamino)-3-oxo-1-pyridin-3-ylpropan-2-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is JBCSVXIXAUNGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N3O3/c1-22-16(27)13(14(25)9-3-2-6-23-8-9)24-15(26)11-5-4-10(18)7-12(11)17(19,20)21/h2-8,13-14,25H,1H3,(H,22,27)(H,24,26).
What are the key properties of 4-fluoro-N-[1-hydroxy-3-(methylamino)-3-oxo-1-pyridin-3-ylpropan-2-yl]-2-(trifluoromethyl)benzamide?
4-fluoro-N-[1-hydroxy-3-(methylamino)-3-oxo-1-pyridin-3-ylpropan-2-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 385.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-hydroxy-3-(methylamino)-3-oxo-1-pyridin-3-ylpropan-2-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 59718431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).