2,3-difluoro-N-[4-[5-fluoro-2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide

C22H12F6N2O — CID 11487330

IUPAC2,3-difluoro-N-[4-[5-fluoro-2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2c(C(F)(F)F)cc3cccc(F)n23)cc1)c1cccc(F)c1F
InChIInChI=1S/C22H12F6N2O/c23-17-5-2-4-15(19(17)25)21(31)29-13-9-7-12(8-10-13)20-16(22(26,27)28)11-14-3-1-6-18(24)30(14)20/h1-11H,(H,29,31)
InChIKeyQFGFRYFWZRGBQP-UHFFFAOYSA-N
MW434.34 g/mol
LogP6.29
Rot. Bonds3

About 2,3-difluoro-N-[4-[5-fluoro-2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide

2,3-difluoro-N-[4-[5-fluoro-2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide (PubChem CID 11487330) has the molecular formula C22H12F6N2O and a molecular weight of 434.34 g/mol. Its IUPAC name is 2,3-difluoro-N-[4-[5-fluoro-2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[4-[5-fluoro-2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide
PubChem CID11487330
Molecular FormulaC22H12F6N2O
Molecular Weight434.34 g/mol
Exact Mass434.09
IUPAC Name2,3-difluoro-N-[4-[5-fluoro-2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2c(C(F)(F)F)cc3cccc(F)n23)cc1)c1cccc(F)c1F
InChIInChI=1S/C22H12F6N2O/c23-17-5-2-4-15(19(17)25)21(31)29-13-9-7-12(8-10-13)20-16(22(26,27)28)11-14-3-1-6-18(24)30(14)20/h1-11H,(H,29,31)
InChIKeyQFGFRYFWZRGBQP-UHFFFAOYSA-N
XLogP6.29
TPSA33.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.34
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,3-difluoro-N-[4-[5-fluoro-2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide 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

2,3-difluoro-N-[4-[2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide
CID 11235393
[3-[4-[(2,3-difluorobenzoyl)amino]phenyl]-2-(trifluoromethyl)indolizin-6-yl] methyl carbonate
CID 67534038
2,3-difluoro-N-[4-[1-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide
CID 11223775
2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide
CID 151067192
N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495
N-[4-(2-bromoethyl)phenyl]-2,3-difluorobenzamide
CID 114310286
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
N-[4-[1-(chloromethyl)-5-methyl-3-(trifluoromethyl)pyrrol-2-yl]phenyl]-2,6-difluorobenzamide
CID 142993996
2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-3-yl]phenyl]benzamide;3-(4-nitrophenyl)-2-(trifluoromethyl)indolizine;4-[2-(trifluoromethyl)indolizin-3-yl]aniline
CID 159421178
2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide
CID 110452028
N-[4-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3-(trifluoromethyl)phenyl]-2,3-difluorobenzamide
CID 141243421
N-(4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 28739363

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[4-[5-fluoro-2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide?
The IUPAC name of 2,3-difluoro-N-[4-[5-fluoro-2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide (CID 11487330) is 2,3-difluoro-N-[4-[5-fluoro-2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[4-[5-fluoro-2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[4-[5-fluoro-2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide is O=C(Nc1ccc(-c2c(C(F)(F)F)cc3cccc(F)n23)cc1)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[4-[5-fluoro-2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide?
The InChIKey is QFGFRYFWZRGBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F6N2O/c23-17-5-2-4-15(19(17)25)21(31)29-13-9-7-12(8-10-13)20-16(22(26,27)28)11-14-3-1-6-18(24)30(14)20/h1-11H,(H,29,31).
What are the key properties of 2,3-difluoro-N-[4-[5-fluoro-2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide?
2,3-difluoro-N-[4-[5-fluoro-2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide has a molecular weight of 434.34 g/mol, XLogP of 6.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[4-[5-fluoro-2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide is sourced from PubChem (CID 11487330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).