4-(6,7-difluoro-4-oxo-2H-1,3-benzoxazin-3-yl)benzoate

C15H8F2NO4- — CID 18452498

IUPAC4-(6,7-difluoro-4-oxo-2H-1,3-benzoxazin-3-yl)benzoate
SMILESO=C([O-])c1ccc(N2COc3cc(F)c(F)cc3C2=O)cc1
InChIInChI=1S/C15H9F2NO4/c16-11-5-10-13(6-12(11)17)22-7-18(14(10)19)9-3-1-8(2-4-9)15(20)21/h1-6H,7H2,(H,20,21)/p-1
InChIKeyLUCYUTGKIPHICG-UHFFFAOYSA-M
MW304.23 g/mol
LogP1.33
Rot. Bonds2

About 4-(6,7-difluoro-4-oxo-2H-1,3-benzoxazin-3-yl)benzoate

4-(6,7-difluoro-4-oxo-2H-1,3-benzoxazin-3-yl)benzoate (PubChem CID 18452498) has the molecular formula C15H8F2NO4- and a molecular weight of 304.23 g/mol. Its IUPAC name is 4-(6,7-difluoro-4-oxo-2H-1,3-benzoxazin-3-yl)benzoate.

Molecular Properties

Compound Name4-(6,7-difluoro-4-oxo-2H-1,3-benzoxazin-3-yl)benzoate
PubChem CID18452498
Molecular FormulaC15H8F2NO4-
Molecular Weight304.23 g/mol
Exact Mass304.04
IUPAC Name4-(6,7-difluoro-4-oxo-2H-1,3-benzoxazin-3-yl)benzoate
SMILESO=C([O-])c1ccc(N2COc3cc(F)c(F)cc3C2=O)cc1
InChIInChI=1S/C15H9F2NO4/c16-11-5-10-13(6-12(11)17)22-7-18(14(10)19)9-3-1-8(2-4-9)15(20)21/h1-6H,7H2,(H,20,21)/p-1
InChIKeyLUCYUTGKIPHICG-UHFFFAOYSA-M
XLogP1.33
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(6,7-difluoro-4-oxo-2H-1,3-benzoxazin-3-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-difluoro-4-oxo-2H-1,3-benzoxazin-3-yl)benzoate?
The IUPAC name of 4-(6,7-difluoro-4-oxo-2H-1,3-benzoxazin-3-yl)benzoate (CID 18452498) is 4-(6,7-difluoro-4-oxo-2H-1,3-benzoxazin-3-yl)benzoate.
What is the SMILES notation for 4-(6,7-difluoro-4-oxo-2H-1,3-benzoxazin-3-yl)benzoate?
The canonical SMILES for 4-(6,7-difluoro-4-oxo-2H-1,3-benzoxazin-3-yl)benzoate is O=C([O-])c1ccc(N2COc3cc(F)c(F)cc3C2=O)cc1.
What is the InChIKey of 4-(6,7-difluoro-4-oxo-2H-1,3-benzoxazin-3-yl)benzoate?
The InChIKey is LUCYUTGKIPHICG-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H9F2NO4/c16-11-5-10-13(6-12(11)17)22-7-18(14(10)19)9-3-1-8(2-4-9)15(20)21/h1-6H,7H2,(H,20,21)/p-1.
What are the key properties of 4-(6,7-difluoro-4-oxo-2H-1,3-benzoxazin-3-yl)benzoate?
4-(6,7-difluoro-4-oxo-2H-1,3-benzoxazin-3-yl)benzoate has a molecular weight of 304.23 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-difluoro-4-oxo-2H-1,3-benzoxazin-3-yl)benzoate is sourced from PubChem (CID 18452498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).