8-fluoro-4-hydroxy-2-oxo-N-phenylchromene-3-carboxamide

C16H10FNO4 — CID 54733251

IUPAC8-fluoro-4-hydroxy-2-oxo-N-phenylchromene-3-carboxamide
SMILESO=C(Nc1ccccc1)c1c(O)c2cccc(F)c2oc1=O
InChIInChI=1S/C16H10FNO4/c17-11-8-4-7-10-13(19)12(16(21)22-14(10)11)15(20)18-9-5-2-1-3-6-9/h1-8,19H,(H,18,20)
InChIKeyZIMUCEOGOHLNAM-UHFFFAOYSA-N
MW299.26 g/mol
LogP2.89
Rot. Bonds2

About 8-fluoro-4-hydroxy-2-oxo-N-phenylchromene-3-carboxamide

8-fluoro-4-hydroxy-2-oxo-N-phenylchromene-3-carboxamide (PubChem CID 54733251) has the molecular formula C16H10FNO4 and a molecular weight of 299.26 g/mol. Its IUPAC name is 8-fluoro-4-hydroxy-2-oxo-N-phenylchromene-3-carboxamide.

Molecular Properties

Compound Name8-fluoro-4-hydroxy-2-oxo-N-phenylchromene-3-carboxamide
PubChem CID54733251
Molecular FormulaC16H10FNO4
Molecular Weight299.26 g/mol
Exact Mass299.06
IUPAC Name8-fluoro-4-hydroxy-2-oxo-N-phenylchromene-3-carboxamide
SMILESO=C(Nc1ccccc1)c1c(O)c2cccc(F)c2oc1=O
InChIInChI=1S/C16H10FNO4/c17-11-8-4-7-10-13(19)12(16(21)22-14(10)11)15(20)18-9-5-2-1-3-6-9/h1-8,19H,(H,18,20)
InChIKeyZIMUCEOGOHLNAM-UHFFFAOYSA-N
XLogP2.89
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 52.89
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

4-hydroxy-5-methyl-2-oxo-N-phenylpyrano[3,2-b]indole-3-carboxamide
CID 54696259
N-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54698718
5-acetyl-2,4-dihydroxy-6-oxo-N-phenylpyran-3-carboxamide
CID 136610051
N-(2,4-difluorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54737498
3-[(2-chloro-6-fluorobenzoyl)amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 7159647
N-(2-aminophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54736250
4-hydroxy-N-naphthalen-1-yl-2-oxochromene-3-carboxamide
CID 54748267
2-[[8-(2-chlorophenyl)-4-hydroxy-2-oxochromene-3-carbonyl]amino]acetic acid
CID 54734815
4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54676449
4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide
CID 54695908
2,6-difluoro-N-(4-nitrophenyl)benzamide
CID 2841260
2-[[4-hydroxy-8-(4-methylphenyl)-2-oxochromene-3-carbonyl]amino]acetic acid
CID 54734827

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-hydroxy-2-oxo-N-phenylchromene-3-carboxamide?
The IUPAC name of 8-fluoro-4-hydroxy-2-oxo-N-phenylchromene-3-carboxamide (CID 54733251) is 8-fluoro-4-hydroxy-2-oxo-N-phenylchromene-3-carboxamide.
What is the SMILES notation for 8-fluoro-4-hydroxy-2-oxo-N-phenylchromene-3-carboxamide?
The canonical SMILES for 8-fluoro-4-hydroxy-2-oxo-N-phenylchromene-3-carboxamide is O=C(Nc1ccccc1)c1c(O)c2cccc(F)c2oc1=O.
What is the InChIKey of 8-fluoro-4-hydroxy-2-oxo-N-phenylchromene-3-carboxamide?
The InChIKey is ZIMUCEOGOHLNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO4/c17-11-8-4-7-10-13(19)12(16(21)22-14(10)11)15(20)18-9-5-2-1-3-6-9/h1-8,19H,(H,18,20).
What are the key properties of 8-fluoro-4-hydroxy-2-oxo-N-phenylchromene-3-carboxamide?
8-fluoro-4-hydroxy-2-oxo-N-phenylchromene-3-carboxamide has a molecular weight of 299.26 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-hydroxy-2-oxo-N-phenylchromene-3-carboxamide is sourced from PubChem (CID 54733251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).