N-(2,4-difluorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide

C16H9F2NO4 — CID 54737498

IUPACN-(2,4-difluorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C16H9F2NO4/c17-8-5-6-11(10(18)7-8)19-15(21)13-14(20)9-3-1-2-4-12(9)23-16(13)22/h1-7,20H,(H,19,21)
InChIKeyXHOVSZSTEGLCEO-UHFFFAOYSA-N
MW317.25 g/mol
LogP3.03
Rot. Bonds2

About N-(2,4-difluorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide

N-(2,4-difluorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide (PubChem CID 54737498) has the molecular formula C16H9F2NO4 and a molecular weight of 317.25 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
PubChem CID54737498
Molecular FormulaC16H9F2NO4
Molecular Weight317.25 g/mol
Exact Mass317.05
IUPAC NameN-(2,4-difluorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C16H9F2NO4/c17-8-5-6-11(10(18)7-8)19-15(21)13-14(20)9-3-1-2-4-12(9)23-16(13)22/h1-7,20H,(H,19,21)
InChIKeyXHOVSZSTEGLCEO-UHFFFAOYSA-N
XLogP3.03
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54736250
4-hydroxy-N-naphthalen-1-yl-2-oxochromene-3-carboxamide
CID 54748267
N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7770031
N-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54698718
N-(2,4-difluorophenyl)-2,6-difluorobenzamide
CID 2796874
4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide
CID 54695908
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
4-hydroxy-2-oxo-N-(1,3,4-thiadiazol-2-yl)chromene-3-carboxamide
CID 54726652
3-benzoyl-4-hydroxychromen-2-one
CID 135407308
8-fluoro-4-hydroxy-2-oxo-N-phenylchromene-3-carboxamide
CID 54733251
N-[3-chloro-4-(trifluoromethyl)thiophen-2-yl]-4-hydroxy-2-oxochromene-3-carboxamide
CID 88650334
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide (CID 54737498) is N-(2,4-difluorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide is O=C(Nc1ccc(F)cc1F)c1c(O)c2ccccc2oc1=O.
What is the InChIKey of N-(2,4-difluorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide?
The InChIKey is XHOVSZSTEGLCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2NO4/c17-8-5-6-11(10(18)7-8)19-15(21)13-14(20)9-3-1-2-4-12(9)23-16(13)22/h1-7,20H,(H,19,21).
What are the key properties of N-(2,4-difluorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide?
N-(2,4-difluorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide has a molecular weight of 317.25 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 54737498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).