4-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide

C17H15FN2O3 — CID 110404478

IUPAC4-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide
SMILESCN1C(=O)C(CNC(=O)c2ccc(F)cc2)Oc2ccccc21
InChIInChI=1S/C17H15FN2O3/c1-20-13-4-2-3-5-14(13)23-15(17(20)22)10-19-16(21)11-6-8-12(18)9-7-11/h2-9,15H,10H2,1H3,(H,19,21)
InChIKeyOUPMZJMLAOXYAI-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.98
Rot. Bonds3

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

4-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide (PubChem CID 110404478) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is 4-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide
PubChem CID110404478
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name4-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide
SMILESCN1C(=O)C(CNC(=O)c2ccc(F)cc2)Oc2ccccc21
InChIInChI=1S/C17H15FN2O3/c1-20-13-4-2-3-5-14(13)23-15(17(20)22)10-19-16(21)11-6-8-12(18)9-7-11/h2-9,15H,10H2,1H3,(H,19,21)
InChIKeyOUPMZJMLAOXYAI-UHFFFAOYSA-N
XLogP1.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide
CID 110404798
2-(4-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide
CID 110404498
N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2-phenylacetamide
CID 110404497
2-chloro-6-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide
CID 110404522
N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2,2-diphenylacetamide
CID 110404491
1-(4-chlorophenyl)-3-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]urea
CID 110404511
2-chloro-6-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide
CID 110404837
N-[2-(2-fluorophenyl)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683181
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide
CID 110709244
N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]thiophene-2-sulfonamide
CID 110404582
N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide
CID 110404866
2-acetyl-4-methyl-1,4-benzoxazin-3-one
CID 116991012

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide?
The IUPAC name of 4-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide (CID 110404478) is 4-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide is CN1C(=O)C(CNC(=O)c2ccc(F)cc2)Oc2ccccc21.
What is the InChIKey of 4-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide?
The InChIKey is OUPMZJMLAOXYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-20-13-4-2-3-5-14(13)23-15(17(20)22)10-19-16(21)11-6-8-12(18)9-7-11/h2-9,15H,10H2,1H3,(H,19,21).
What are the key properties of 4-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide?
4-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide has a molecular weight of 314.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide is sourced from PubChem (CID 110404478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).