2,3-difluoro-N-[4-[1-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide

C22H13F5N2O — CID 11223775

IUPAC2,3-difluoro-N-[4-[1-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cc(C(F)(F)F)c3ccccn23)cc1)c1cccc(F)c1F
InChIInChI=1S/C22H13F5N2O/c23-17-5-3-4-15(20(17)24)21(30)28-14-9-7-13(8-10-14)19-12-16(22(25,26)27)18-6-1-2-11-29(18)19/h1-12H,(H,28,30)
InChIKeyQFWIGGCFWBPYRD-UHFFFAOYSA-N
MW416.35 g/mol
LogP6.16
Rot. Bonds3

About 2,3-difluoro-N-[4-[1-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide

2,3-difluoro-N-[4-[1-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide (PubChem CID 11223775) has the molecular formula C22H13F5N2O and a molecular weight of 416.35 g/mol. Its IUPAC name is 2,3-difluoro-N-[4-[1-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[4-[1-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide
PubChem CID11223775
Molecular FormulaC22H13F5N2O
Molecular Weight416.35 g/mol
Exact Mass416.09
IUPAC Name2,3-difluoro-N-[4-[1-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cc(C(F)(F)F)c3ccccn23)cc1)c1cccc(F)c1F
InChIInChI=1S/C22H13F5N2O/c23-17-5-3-4-15(20(17)24)21(30)28-14-9-7-13(8-10-14)19-12-16(22(25,26)27)18-6-1-2-11-29(18)19/h1-12H,(H,28,30)
InChIKeyQFWIGGCFWBPYRD-UHFFFAOYSA-N
XLogP6.16
TPSA33.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.35
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3-difluoro-N-[4-[1-(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

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[4-[1-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide?
The IUPAC name of 2,3-difluoro-N-[4-[1-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide (CID 11223775) is 2,3-difluoro-N-[4-[1-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[4-[1-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[4-[1-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide is O=C(Nc1ccc(-c2cc(C(F)(F)F)c3ccccn23)cc1)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[4-[1-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide?
The InChIKey is QFWIGGCFWBPYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F5N2O/c23-17-5-3-4-15(20(17)24)21(30)28-14-9-7-13(8-10-14)19-12-16(22(25,26)27)18-6-1-2-11-29(18)19/h1-12H,(H,28,30).
What are the key properties of 2,3-difluoro-N-[4-[1-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide?
2,3-difluoro-N-[4-[1-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide has a molecular weight of 416.35 g/mol, XLogP of 6.16, 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-[1-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide is sourced from PubChem (CID 11223775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).