4-(hydroxyamino)-2-oxo-6-phenyl-N-[3-(trifluoromethyl)phenyl]pyran-3-carboxamide

C19H13F3N2O4 — CID 90467599

IUPAC4-(hydroxyamino)-2-oxo-6-phenyl-N-[3-(trifluoromethyl)phenyl]pyran-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1c(NO)cc(-c2ccccc2)oc1=O
InChIInChI=1S/C19H13F3N2O4/c20-19(21,22)12-7-4-8-13(9-12)23-17(25)16-14(24-27)10-15(28-18(16)26)11-5-2-1-3-6-11/h1-10,24,27H,(H,23,25)
InChIKeyCFBZPOQMZNPBIX-UHFFFAOYSA-N
MW390.32 g/mol
LogP4.38
Rot. Bonds4

About 4-(hydroxyamino)-2-oxo-6-phenyl-N-[3-(trifluoromethyl)phenyl]pyran-3-carboxamide

4-(hydroxyamino)-2-oxo-6-phenyl-N-[3-(trifluoromethyl)phenyl]pyran-3-carboxamide (PubChem CID 90467599) has the molecular formula C19H13F3N2O4 and a molecular weight of 390.32 g/mol. Its IUPAC name is 4-(hydroxyamino)-2-oxo-6-phenyl-N-[3-(trifluoromethyl)phenyl]pyran-3-carboxamide.

Molecular Properties

Compound Name4-(hydroxyamino)-2-oxo-6-phenyl-N-[3-(trifluoromethyl)phenyl]pyran-3-carboxamide
PubChem CID90467599
Molecular FormulaC19H13F3N2O4
Molecular Weight390.32 g/mol
Exact Mass390.08
IUPAC Name4-(hydroxyamino)-2-oxo-6-phenyl-N-[3-(trifluoromethyl)phenyl]pyran-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1c(NO)cc(-c2ccccc2)oc1=O
InChIInChI=1S/C19H13F3N2O4/c20-19(21,22)12-7-4-8-13(9-12)23-17(25)16-14(24-27)10-15(28-18(16)26)11-5-2-1-3-6-11/h1-10,24,27H,(H,23,25)
InChIKeyCFBZPOQMZNPBIX-UHFFFAOYSA-N
XLogP4.38
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 104606992
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1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2421688
2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
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CID 151250225
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 26289494
[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite
CID 150746432
4-(phenylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639160
5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 27262208
N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide
CID 54761409

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxyamino)-2-oxo-6-phenyl-N-[3-(trifluoromethyl)phenyl]pyran-3-carboxamide?
The IUPAC name of 4-(hydroxyamino)-2-oxo-6-phenyl-N-[3-(trifluoromethyl)phenyl]pyran-3-carboxamide (CID 90467599) is 4-(hydroxyamino)-2-oxo-6-phenyl-N-[3-(trifluoromethyl)phenyl]pyran-3-carboxamide.
What is the SMILES notation for 4-(hydroxyamino)-2-oxo-6-phenyl-N-[3-(trifluoromethyl)phenyl]pyran-3-carboxamide?
The canonical SMILES for 4-(hydroxyamino)-2-oxo-6-phenyl-N-[3-(trifluoromethyl)phenyl]pyran-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1c(NO)cc(-c2ccccc2)oc1=O.
What is the InChIKey of 4-(hydroxyamino)-2-oxo-6-phenyl-N-[3-(trifluoromethyl)phenyl]pyran-3-carboxamide?
The InChIKey is CFBZPOQMZNPBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O4/c20-19(21,22)12-7-4-8-13(9-12)23-17(25)16-14(24-27)10-15(28-18(16)26)11-5-2-1-3-6-11/h1-10,24,27H,(H,23,25).
What are the key properties of 4-(hydroxyamino)-2-oxo-6-phenyl-N-[3-(trifluoromethyl)phenyl]pyran-3-carboxamide?
4-(hydroxyamino)-2-oxo-6-phenyl-N-[3-(trifluoromethyl)phenyl]pyran-3-carboxamide has a molecular weight of 390.32 g/mol, XLogP of 4.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxyamino)-2-oxo-6-phenyl-N-[3-(trifluoromethyl)phenyl]pyran-3-carboxamide is sourced from PubChem (CID 90467599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).