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

C17H14F2N2O3 — CID 110729780

IUPACN-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(2-fluorophenyl)propanamide
SMILESO=C(CCc1ccccc1F)Nc1cc(F)cc2c1OCC(=O)N2
InChIInChI=1S/C17H14F2N2O3/c18-11-7-13(17-14(8-11)21-16(23)9-24-17)20-15(22)6-5-10-3-1-2-4-12(10)19/h1-4,7-8H,5-6,9H2,(H,20,22)(H,21,23)
InChIKeyCIGGLOJCKSMJBR-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.87
Rot. Bonds4

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

N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(2-fluorophenyl)propanamide (PubChem CID 110729780) has the molecular formula C17H14F2N2O3 and a molecular weight of 332.31 g/mol. Its IUPAC name is N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(2-fluorophenyl)propanamide
PubChem CID110729780
Molecular FormulaC17H14F2N2O3
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC NameN-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(2-fluorophenyl)propanamide
SMILESO=C(CCc1ccccc1F)Nc1cc(F)cc2c1OCC(=O)N2
InChIInChI=1S/C17H14F2N2O3/c18-11-7-13(17-14(8-11)21-16(23)9-24-17)20-15(22)6-5-10-3-1-2-4-12(10)19/h1-4,7-8H,5-6,9H2,(H,20,22)(H,21,23)
InChIKeyCIGGLOJCKSMJBR-UHFFFAOYSA-N
XLogP2.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(2-fluorophenyl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-thiophen-2-ylpropanamide
CID 110729770
N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(3-methylphenyl)propanamide
CID 110729776
N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)cyclobutanecarboxamide
CID 110729773
2-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide
CID 110729628
3-(2-fluorophenyl)-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)propanamide
CID 110309220
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-oxo-4H-1,4-benzoxazin-8-yl)propanamide
CID 110630241
3-(2-fluorophenyl)-N-(2-methylphenyl)propanamide
CID 9394717
N-(2-chlorophenyl)-3-(2-fluorophenyl)propanamide
CID 9401009
2-(2-fluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 110777106
N-(2-benzylphenyl)-3-(2-fluorophenyl)propanamide
CID 9397387
N-cyclopropyl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 29353155
N-(2-fluorophenyl)-3-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide
CID 22551261

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(2-fluorophenyl)propanamide (CID 110729780) is N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(2-fluorophenyl)propanamide is O=C(CCc1ccccc1F)Nc1cc(F)cc2c1OCC(=O)N2.
What is the InChIKey of N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(2-fluorophenyl)propanamide?
The InChIKey is CIGGLOJCKSMJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3/c18-11-7-13(17-14(8-11)21-16(23)9-24-17)20-15(22)6-5-10-3-1-2-4-12(10)19/h1-4,7-8H,5-6,9H2,(H,20,22)(H,21,23).
What are the key properties of N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(2-fluorophenyl)propanamide?
N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(2-fluorophenyl)propanamide has a molecular weight of 332.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 110729780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).