2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide

C16H13FN2O3 — CID 17413196

IUPAC2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
SMILESCC1Oc2ccc(NC(=O)c3ccccc3F)cc2NC1=O
InChIInChI=1S/C16H13FN2O3/c1-9-15(20)19-13-8-10(6-7-14(13)22-9)18-16(21)11-4-2-3-5-12(11)17/h2-9H,1H3,(H,18,21)(H,19,20)
InChIKeyZNCWIODWEDHWAY-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.80
Rot. Bonds2

About 2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide

2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide (PubChem CID 17413196) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
PubChem CID17413196
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
SMILESCC1Oc2ccc(NC(=O)c3ccccc3F)cc2NC1=O
InChIInChI=1S/C16H13FN2O3/c1-9-15(20)19-13-8-10(6-7-14(13)22-9)18-16(21)11-4-2-3-5-12(11)17/h2-9H,1H3,(H,18,21)(H,19,20)
InChIKeyZNCWIODWEDHWAY-UHFFFAOYSA-N
XLogP2.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129767
2-bromo-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 40810154
4-bromo-2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18090700
(Z)-3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enamide
CID 60575706
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-1-carboxamide
CID 41096038
2-(2-fluorophenyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9145610
3-methoxy-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
CID 9145079
3-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129774
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 30807726
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-propoxybenzamide
CID 35574928
1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenylurea
CID 41291616
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-phenylbenzamide
CID 9145109

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The IUPAC name of 2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide (CID 17413196) is 2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide is CC1Oc2ccc(NC(=O)c3ccccc3F)cc2NC1=O.
What is the InChIKey of 2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The InChIKey is ZNCWIODWEDHWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c1-9-15(20)19-13-8-10(6-7-14(13)22-9)18-16(21)11-4-2-3-5-12(11)17/h2-9H,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide has a molecular weight of 300.29 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide is sourced from PubChem (CID 17413196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).