N-(2-fluorophenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

C17H15FN2O3 — CID 3224958

IUPACN-(2-fluorophenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)Nc2ccccc2F)C1=O
InChIInChI=1S/C17H15FN2O3/c1-11-17(22)20(14-8-4-5-9-15(14)23-11)10-16(21)19-13-7-3-2-6-12(13)18/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyGCVVRNJNYNHRDP-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.58
Rot. Bonds3

About N-(2-fluorophenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

N-(2-fluorophenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 3224958) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID3224958
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC NameN-(2-fluorophenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)Nc2ccccc2F)C1=O
InChIInChI=1S/C17H15FN2O3/c1-11-17(22)20(14-8-4-5-9-15(14)23-11)10-16(21)19-13-7-3-2-6-12(13)18/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyGCVVRNJNYNHRDP-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 3224958) is N-(2-fluorophenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is CC1Oc2ccccc2N(CC(=O)Nc2ccccc2F)C1=O.
What is the InChIKey of N-(2-fluorophenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is GCVVRNJNYNHRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-11-17(22)20(14-8-4-5-9-15(14)23-11)10-16(21)19-13-7-3-2-6-12(13)18/h2-9,11H,10H2,1H3,(H,19,21).
What are the key properties of N-(2-fluorophenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(2-fluorophenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 314.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 3224958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).