4-ethyl-7-[(2-fluorophenyl)methylamino]-1,4-benzoxazin-3-one

C17H17FN2O2 — CID 82212203

IUPAC4-ethyl-7-[(2-fluorophenyl)methylamino]-1,4-benzoxazin-3-one
SMILESCCN1C(=O)COc2cc(NCc3ccccc3F)ccc21
InChIInChI=1S/C17H17FN2O2/c1-2-20-15-8-7-13(9-16(15)22-11-17(20)21)19-10-12-5-3-4-6-14(12)18/h3-9,19H,2,10-11H2,1H3
InChIKeyHJJMMCOOMFKOIX-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.18
Rot. Bonds4

About 4-ethyl-7-[(2-fluorophenyl)methylamino]-1,4-benzoxazin-3-one

4-ethyl-7-[(2-fluorophenyl)methylamino]-1,4-benzoxazin-3-one (PubChem CID 82212203) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 4-ethyl-7-[(2-fluorophenyl)methylamino]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-ethyl-7-[(2-fluorophenyl)methylamino]-1,4-benzoxazin-3-one
PubChem CID82212203
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name4-ethyl-7-[(2-fluorophenyl)methylamino]-1,4-benzoxazin-3-one
SMILESCCN1C(=O)COc2cc(NCc3ccccc3F)ccc21
InChIInChI=1S/C17H17FN2O2/c1-2-20-15-8-7-13(9-16(15)22-11-17(20)21)19-10-12-5-3-4-6-14(12)18/h3-9,19H,2,10-11H2,1H3
InChIKeyHJJMMCOOMFKOIX-UHFFFAOYSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[7-[(2-methoxyphenyl)methylamino]-3-oxo-1,4-benzoxazin-4-yl]acetonitrile
CID 82212210
7-(benzylamino)-4-methyl-1,4-benzoxazin-3-one
CID 82212148
7-[(4-fluorophenyl)methylamino]-4-methyl-1,4-benzoxazin-3-one
CID 24886668
2-(2-fluorophenyl)-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]acetamide
CID 110729840
2-[7-[(4-fluorophenyl)methylamino]-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 82212195
9-ethyl-N-[(2-fluorophenyl)methyl]carbazol-3-amine
CID 22664102
4-ethyl-6-fluoro-1,4-benzoxazin-3-one
CID 59525216
7-[(4-methoxyphenyl)methylamino]-4-prop-2-ynyl-1,4-benzoxazin-3-one
CID 94946596
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 8645330
5-[(2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 17060042
N-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-phenylacetamide
CID 6488709
N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-1-(2-fluorophenyl)methanesulfonamide
CID 40957234

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-[(2-fluorophenyl)methylamino]-1,4-benzoxazin-3-one?
The IUPAC name of 4-ethyl-7-[(2-fluorophenyl)methylamino]-1,4-benzoxazin-3-one (CID 82212203) is 4-ethyl-7-[(2-fluorophenyl)methylamino]-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-ethyl-7-[(2-fluorophenyl)methylamino]-1,4-benzoxazin-3-one?
The canonical SMILES for 4-ethyl-7-[(2-fluorophenyl)methylamino]-1,4-benzoxazin-3-one is CCN1C(=O)COc2cc(NCc3ccccc3F)ccc21.
What is the InChIKey of 4-ethyl-7-[(2-fluorophenyl)methylamino]-1,4-benzoxazin-3-one?
The InChIKey is HJJMMCOOMFKOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-2-20-15-8-7-13(9-16(15)22-11-17(20)21)19-10-12-5-3-4-6-14(12)18/h3-9,19H,2,10-11H2,1H3.
What are the key properties of 4-ethyl-7-[(2-fluorophenyl)methylamino]-1,4-benzoxazin-3-one?
4-ethyl-7-[(2-fluorophenyl)methylamino]-1,4-benzoxazin-3-one has a molecular weight of 300.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-[(2-fluorophenyl)methylamino]-1,4-benzoxazin-3-one is sourced from PubChem (CID 82212203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).