N-(4-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide

C15H11FN2O3 — CID 53010175

IUPACN-(4-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1Oc2ccccc2NC1=O
InChIInChI=1S/C15H11FN2O3/c16-9-5-7-10(8-6-9)17-14(19)13-15(20)18-11-3-1-2-4-12(11)21-13/h1-8,13H,(H,17,19)(H,18,20)
InChIKeyAWHFRSIMYHQNJB-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.16
Rot. Bonds2

About N-(4-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide

N-(4-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (PubChem CID 53010175) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide
PubChem CID53010175
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC NameN-(4-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1Oc2ccccc2NC1=O
InChIInChI=1S/C15H11FN2O3/c16-9-5-7-10(8-6-9)17-14(19)13-15(20)18-11-3-1-2-4-12(11)21-13/h1-8,13H,(H,17,19)(H,18,20)
InChIKeyAWHFRSIMYHQNJB-UHFFFAOYSA-N
XLogP2.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (CID 53010175) is N-(4-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide is O=C(Nc1ccc(F)cc1)C1Oc2ccccc2NC1=O.
What is the InChIKey of N-(4-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The InChIKey is AWHFRSIMYHQNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-9-5-7-10(8-6-9)17-14(19)13-15(20)18-11-3-1-2-4-12(11)21-13/h1-8,13H,(H,17,19)(H,18,20).
What are the key properties of N-(4-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
N-(4-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide has a molecular weight of 286.26 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 53010175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).