4-[2-(4-fluorophenyl)-2-oxoethyl]-1,4-benzoxazin-3-one

C16H12FNO3 — CID 3952636

IUPAC4-[2-(4-fluorophenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
SMILESO=C(CN1C(=O)COc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C16H12FNO3/c17-12-7-5-11(6-8-12)14(19)9-18-13-3-1-2-4-15(13)21-10-16(18)20/h1-8H,9-10H2
InChIKeyDWTJIJMAVMVODU-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.43
Rot. Bonds3

About 4-[2-(4-fluorophenyl)-2-oxoethyl]-1,4-benzoxazin-3-one

4-[2-(4-fluorophenyl)-2-oxoethyl]-1,4-benzoxazin-3-one (PubChem CID 3952636) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-2-oxoethyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
PubChem CID3952636
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name4-[2-(4-fluorophenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
SMILESO=C(CN1C(=O)COc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C16H12FNO3/c17-12-7-5-11(6-8-12)14(19)9-18-13-3-1-2-4-15(13)21-10-16(18)20/h1-8H,9-10H2
InChIKeyDWTJIJMAVMVODU-UHFFFAOYSA-N
XLogP2.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18200595
4-[2-(2-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 62024634
(4-benzoylphenyl) 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
CID 9095434
2-(3-fluorophenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]acetohydrazide
CID 9237538
3-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 55027475
potassium trifluoro-[(3-oxo-1,4-benzoxazin-4-yl)methyl]boranuide
CID 55234588
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
CID 55321740
6-[6-(4-bromophenyl)-4-(4-methylphenyl)-2-pyridinyl]-4-[2-(4-fluorophenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 44724588
2-[methyl-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]acetic acid
CID 119137153
naphthalen-1-yl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
CID 18886676
4-[3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one
CID 35367982
2-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride
CID 21277886

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-2-oxoethyl]-1,4-benzoxazin-3-one?
The IUPAC name of 4-[2-(4-fluorophenyl)-2-oxoethyl]-1,4-benzoxazin-3-one (CID 3952636) is 4-[2-(4-fluorophenyl)-2-oxoethyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-2-oxoethyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[2-(4-fluorophenyl)-2-oxoethyl]-1,4-benzoxazin-3-one is O=C(CN1C(=O)COc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-2-oxoethyl]-1,4-benzoxazin-3-one?
The InChIKey is DWTJIJMAVMVODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c17-12-7-5-11(6-8-12)14(19)9-18-13-3-1-2-4-15(13)21-10-16(18)20/h1-8H,9-10H2.
What are the key properties of 4-[2-(4-fluorophenyl)-2-oxoethyl]-1,4-benzoxazin-3-one?
4-[2-(4-fluorophenyl)-2-oxoethyl]-1,4-benzoxazin-3-one has a molecular weight of 285.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-2-oxoethyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 3952636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).