2-(4-fluorophenoxy)-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)acetamide

C17H15FN2O4 — CID 110729688

IUPAC2-(4-fluorophenoxy)-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
SMILESCc1cc(NC(=O)COc2ccc(F)cc2)c2c(c1)NC(=O)CO2
InChIInChI=1S/C17H15FN2O4/c1-10-6-13(17-14(7-10)20-16(22)9-24-17)19-15(21)8-23-12-4-2-11(18)3-5-12/h2-7H,8-9H2,1H3,(H,19,21)(H,20,22)
InChIKeyXOWABMDLMTWODT-UHFFFAOYSA-N
MW330.31 g/mol
LogP2.48
Rot. Bonds4

About 2-(4-fluorophenoxy)-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)acetamide

2-(4-fluorophenoxy)-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)acetamide (PubChem CID 110729688) has the molecular formula C17H15FN2O4 and a molecular weight of 330.31 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
PubChem CID110729688
Molecular FormulaC17H15FN2O4
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC Name2-(4-fluorophenoxy)-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
SMILESCc1cc(NC(=O)COc2ccc(F)cc2)c2c(c1)NC(=O)CO2
InChIInChI=1S/C17H15FN2O4/c1-10-6-13(17-14(7-10)20-16(22)9-24-17)19-15(21)8-23-12-4-2-11(18)3-5-12/h2-7H,8-9H2,1H3,(H,19,21)(H,20,22)
InChIKeyXOWABMDLMTWODT-UHFFFAOYSA-N
XLogP2.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 894086
4-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide
CID 110729696
N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(3-methylphenyl)propanamide
CID 110729776
N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-5-oxopyrrolidine-2-carboxamide
CID 110744799
N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(2-fluorophenyl)propanamide
CID 110729780
2-(4-fluorophenoxy)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 110789954
N-(2,4-difluorophenyl)-2-(4-methylphenoxy)acetamide
CID 755254
N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-3H-benzimidazole-5-carboxamide
CID 110744803
8-(dimethylsulfamoylamino)-6-methyl-3-oxo-4H-1,4-benzoxazine
CID 110729693
2-(4-ethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 804157
N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)propane-1-sulfonamide
CID 110729691
2-(4-fluorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 24681386

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)acetamide (CID 110729688) is 2-(4-fluorophenoxy)-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)acetamide is Cc1cc(NC(=O)COc2ccc(F)cc2)c2c(c1)NC(=O)CO2.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)acetamide?
The InChIKey is XOWABMDLMTWODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-10-6-13(17-14(7-10)20-16(22)9-24-17)19-15(21)8-23-12-4-2-11(18)3-5-12/h2-7H,8-9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-(4-fluorophenoxy)-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)acetamide?
2-(4-fluorophenoxy)-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)acetamide has a molecular weight of 330.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)acetamide is sourced from PubChem (CID 110729688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).