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

C15H13FN2O2 — CID 24867130

IUPAC7-[(4-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(NCc3ccc(F)cc3)ccc2N1
InChIInChI=1S/C15H13FN2O2/c16-11-3-1-10(2-4-11)8-17-12-5-6-13-14(7-12)20-9-15(19)18-13/h1-7,17H,8-9H2,(H,18,19)
InChIKeyKDUWSGSBAYNNSQ-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.77
Rot. Bonds3

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

7-[(4-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one (PubChem CID 24867130) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one
PubChem CID24867130
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name7-[(4-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(NCc3ccc(F)cc3)ccc2N1
InChIInChI=1S/C15H13FN2O2/c16-11-3-1-10(2-4-11)8-17-12-5-6-13-14(7-12)20-9-15(19)18-13/h1-7,17H,8-9H2,(H,18,19)
InChIKeyKDUWSGSBAYNNSQ-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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Related Compounds

7-[(4-methoxyphenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 24886438
7-[(3-methoxy-4-methylphenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 99840885
7-(1H-pyrazol-5-ylmethylamino)-4H-1,4-benzoxazin-3-one
CID 75521753
7-[(2-methylphenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 82212135
7-[(4-fluorophenyl)methylamino]-4-methyl-1,4-benzoxazin-3-one
CID 24886668
6-[(4-methylanilino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075325
6-[(3,5-dichlorophenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 60789039
6-[(4-iodoanilino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075376
1-[[4-(dimethylamino)phenyl]methyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893272
7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-4H-1,4-benzoxazin-3-one
CID 75518165
6-[(3,5-dichloroanilino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075278
1-(4-fluorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)methanesulfonamide
CID 110778103

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-[(4-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one (CID 24867130) is 7-[(4-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-[(4-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one is O=C1COc2cc(NCc3ccc(F)cc3)ccc2N1.
What is the InChIKey of 7-[(4-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one?
The InChIKey is KDUWSGSBAYNNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c16-11-3-1-10(2-4-11)8-17-12-5-6-13-14(7-12)20-9-15(19)18-13/h1-7,17H,8-9H2,(H,18,19).
What are the key properties of 7-[(4-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one?
7-[(4-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-[(4-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 24867130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).