7-[(3-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one

C15H13FN2O2 — CID 24886433

IUPAC7-[(3-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(NCc3cccc(F)c3)ccc2N1
InChIInChI=1S/C15H13FN2O2/c16-11-3-1-2-10(6-11)8-17-12-4-5-13-14(7-12)20-9-15(19)18-13/h1-7,17H,8-9H2,(H,18,19)
InChIKeyFPVNKQBKIKVXTA-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.77
Rot. Bonds3

About 7-[(3-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one

7-[(3-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one (PubChem CID 24886433) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 7-[(3-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-[(3-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one
PubChem CID24886433
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name7-[(3-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(NCc3cccc(F)c3)ccc2N1
InChIInChI=1S/C15H13FN2O2/c16-11-3-1-2-10(6-11)8-17-12-4-5-13-14(7-12)20-9-15(19)18-13/h1-7,17H,8-9H2,(H,18,19)
InChIKeyFPVNKQBKIKVXTA-UHFFFAOYSA-N
XLogP2.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-[(3-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one (CID 24886433) is 7-[(3-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-[(3-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-[(3-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one is O=C1COc2cc(NCc3cccc(F)c3)ccc2N1.
What is the InChIKey of 7-[(3-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one?
The InChIKey is FPVNKQBKIKVXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c16-11-3-1-2-10(6-11)8-17-12-4-5-13-14(7-12)20-9-15(19)18-13/h1-7,17H,8-9H2,(H,18,19).
What are the key properties of 7-[(3-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one?
7-[(3-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one has a molecular weight of 272.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 24886433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).