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

C16H13FN2O3 — CID 110729628

IUPAC2-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide
SMILESCc1cc2c(c(NC(=O)c3ccccc3F)c1)OCC(=O)N2
InChIInChI=1S/C16H13FN2O3/c1-9-6-12-15(22-8-14(20)18-12)13(7-9)19-16(21)10-4-2-3-5-11(10)17/h2-7H,8H2,1H3,(H,18,20)(H,19,21)
InChIKeyDPRYFLOLKKKRTL-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.72
Rot. Bonds2

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

2-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide (PubChem CID 110729628) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 2-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide
PubChem CID110729628
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name2-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide
SMILESCc1cc2c(c(NC(=O)c3ccccc3F)c1)OCC(=O)N2
InChIInChI=1S/C16H13FN2O3/c1-9-6-12-15(22-8-14(20)18-12)13(7-9)19-16(21)10-4-2-3-5-11(10)17/h2-7H,8H2,1H3,(H,18,20)(H,19,21)
InChIKeyDPRYFLOLKKKRTL-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide
CID 110729632
N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-5-oxopyrrolidine-2-carboxamide
CID 110744799
3-oxo-N-(2,3,4-trifluorophenyl)-4H-1,4-benzoxazine-8-carboxamide
CID 110701657
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-(2-fluorophenyl)propanamide
CID 110729780
2-fluoro-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 16765362
N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 579639
N-(2,5-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699718
8-(dimethylsulfamoylamino)-6-methyl-3-oxo-4H-1,4-benzoxazine
CID 110729693
N-(2-cyanophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701653
8-chloro-6-methyl-4H-1,4-benzoxazin-3-one
CID 84667909
3-(2-fluorophenyl)-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)propanamide
CID 110309220

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide?
The IUPAC name of 2-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide (CID 110729628) is 2-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide is Cc1cc2c(c(NC(=O)c3ccccc3F)c1)OCC(=O)N2.
What is the InChIKey of 2-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide?
The InChIKey is DPRYFLOLKKKRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c1-9-6-12-15(22-8-14(20)18-12)13(7-9)19-16(21)10-4-2-3-5-11(10)17/h2-7H,8H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide?
2-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide has a molecular weight of 300.29 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide is sourced from PubChem (CID 110729628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).