2,3,4,5-tetrafluoro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide

C15H8F4N2O3 — CID 32974831

IUPAC2,3,4,5-tetrafluoro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
SMILESO=C1COc2ccc(NC(=O)c3cc(F)c(F)c(F)c3F)cc2N1
InChIInChI=1S/C15H8F4N2O3/c16-8-4-7(12(17)14(19)13(8)18)15(23)20-6-1-2-10-9(3-6)21-11(22)5-24-10/h1-4H,5H2,(H,20,23)(H,21,22)
InChIKeyBKOMIDGGTQMQEZ-UHFFFAOYSA-N
MW340.23 g/mol
LogP2.83
Rot. Bonds2

About 2,3,4,5-tetrafluoro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide

2,3,4,5-tetrafluoro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide (PubChem CID 32974831) has the molecular formula C15H8F4N2O3 and a molecular weight of 340.23 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
PubChem CID32974831
Molecular FormulaC15H8F4N2O3
Molecular Weight340.23 g/mol
Exact Mass340.05
IUPAC Name2,3,4,5-tetrafluoro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
SMILESO=C1COc2ccc(NC(=O)c3cc(F)c(F)c(F)c3F)cc2N1
InChIInChI=1S/C15H8F4N2O3/c16-8-4-7(12(17)14(19)13(8)18)15(23)20-6-1-2-10-9(3-6)21-11(22)5-24-10/h1-4H,5H2,(H,20,23)(H,21,22)
InChIKeyBKOMIDGGTQMQEZ-UHFFFAOYSA-N
XLogP2.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125
2-[(4-fluorophenyl)methoxy]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 51153524
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carboxamide
CID 47177463
N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831
N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 51153474
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 51153492
1-(4-fluorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31993797
N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763806
3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
CID 53023811
4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 60637259
5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 35528644

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The IUPAC name of 2,3,4,5-tetrafluoro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide (CID 32974831) is 2,3,4,5-tetrafluoro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide is O=C1COc2ccc(NC(=O)c3cc(F)c(F)c(F)c3F)cc2N1.
What is the InChIKey of 2,3,4,5-tetrafluoro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The InChIKey is BKOMIDGGTQMQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4N2O3/c16-8-4-7(12(17)14(19)13(8)18)15(23)20-6-1-2-10-9(3-6)21-11(22)5-24-10/h1-4H,5H2,(H,20,23)(H,21,22).
What are the key properties of 2,3,4,5-tetrafluoro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
2,3,4,5-tetrafluoro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide has a molecular weight of 340.23 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide is sourced from PubChem (CID 32974831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).