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

C16H15FN2O2 — CID 24886668

IUPAC7-[(4-fluorophenyl)methylamino]-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2cc(NCc3ccc(F)cc3)ccc21
InChIInChI=1S/C16H15FN2O2/c1-19-14-7-6-13(8-15(14)21-10-16(19)20)18-9-11-2-4-12(17)5-3-11/h2-8,18H,9-10H2,1H3
InChIKeyHYTPZRMWMFEWTF-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.79
Rot. Bonds3

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

7-[(4-fluorophenyl)methylamino]-4-methyl-1,4-benzoxazin-3-one (PubChem CID 24886668) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methylamino]-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methylamino]-4-methyl-1,4-benzoxazin-3-one
PubChem CID24886668
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name7-[(4-fluorophenyl)methylamino]-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2cc(NCc3ccc(F)cc3)ccc21
InChIInChI=1S/C16H15FN2O2/c1-19-14-7-6-13(8-15(14)21-10-16(19)20)18-9-11-2-4-12(17)5-3-11/h2-8,18H,9-10H2,1H3
InChIKeyHYTPZRMWMFEWTF-UHFFFAOYSA-N
XLogP2.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(benzylamino)-4-methyl-1,4-benzoxazin-3-one
CID 82212148
2-[7-[(4-fluorophenyl)methylamino]-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 82212195
7-[(4-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 24867130
6-[[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 167784198
4-methyl-7-(2-oxopropyl)-1,4-benzoxazin-3-one
CID 116994835
7-[(4-methoxyphenyl)methylamino]-4-prop-2-ynyl-1,4-benzoxazin-3-one
CID 94946596
1-[(4-fluorophenyl)methyl]-3-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)urea
CID 30377298
7-tert-butyl-4-methyl-1,4-benzoxazin-3-one
CID 59264598
7-[4-(aminomethyl)phenyl]-4-methyl-1,4-benzoxazin-3-one
CID 116994811
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)urea
CID 125439982
6-(2-methoxyethylamino)-4-methyl-1,4-benzoxazin-3-one
CID 82496765
4-ethyl-7-[(2-fluorophenyl)methylamino]-1,4-benzoxazin-3-one
CID 82212203

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methylamino]-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 7-[(4-fluorophenyl)methylamino]-4-methyl-1,4-benzoxazin-3-one (CID 24886668) is 7-[(4-fluorophenyl)methylamino]-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methylamino]-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 7-[(4-fluorophenyl)methylamino]-4-methyl-1,4-benzoxazin-3-one is CN1C(=O)COc2cc(NCc3ccc(F)cc3)ccc21.
What is the InChIKey of 7-[(4-fluorophenyl)methylamino]-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is HYTPZRMWMFEWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-19-14-7-6-13(8-15(14)21-10-16(19)20)18-9-11-2-4-12(17)5-3-11/h2-8,18H,9-10H2,1H3.
What are the key properties of 7-[(4-fluorophenyl)methylamino]-4-methyl-1,4-benzoxazin-3-one?
7-[(4-fluorophenyl)methylamino]-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 286.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methylamino]-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 24886668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).