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

C17H12F4N2O3 — CID 44550163

IUPAC4-fluoro-N-[[2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]benzamide
SMILESO=C1Nc2ccccc2C(CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1
InChIInChI=1S/C17H12F4N2O3/c18-11-7-5-10(6-8-11)14(24)22-9-16(17(19,20)21)12-3-1-2-4-13(12)23-15(25)26-16/h1-8H,9H2,(H,22,24)(H,23,25)
InChIKeyFLWGBLAHZZXWDD-UHFFFAOYSA-N
MW368.29 g/mol
LogP3.58
Rot. Bonds3

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

4-fluoro-N-[[2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]benzamide (PubChem CID 44550163) has the molecular formula C17H12F4N2O3 and a molecular weight of 368.29 g/mol. Its IUPAC name is 4-fluoro-N-[[2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]benzamide
PubChem CID44550163
Molecular FormulaC17H12F4N2O3
Molecular Weight368.29 g/mol
Exact Mass368.08
IUPAC Name4-fluoro-N-[[2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]benzamide
SMILESO=C1Nc2ccccc2C(CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1
InChIInChI=1S/C17H12F4N2O3/c18-11-7-5-10(6-8-11)14(24)22-9-16(17(19,20)21)12-3-1-2-4-13(12)23-15(25)26-16/h1-8H,9H2,(H,22,24)(H,23,25)
InChIKeyFLWGBLAHZZXWDD-UHFFFAOYSA-N
XLogP3.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]benzamide (CID 44550163) is 4-fluoro-N-[[2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]benzamide is O=C1Nc2ccccc2C(CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1.
What is the InChIKey of 4-fluoro-N-[[2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]benzamide?
The InChIKey is FLWGBLAHZZXWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O3/c18-11-7-5-10(6-8-11)14(24)22-9-16(17(19,20)21)12-3-1-2-4-13(12)23-15(25)26-16/h1-8H,9H2,(H,22,24)(H,23,25).
What are the key properties of 4-fluoro-N-[[2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]benzamide?
4-fluoro-N-[[2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]benzamide has a molecular weight of 368.29 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]benzamide is sourced from PubChem (CID 44550163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).