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

C22H13F5N2O — CID 11235393

IUPAC2,3-difluoro-N-[4-[2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2c(C(F)(F)F)cc3ccccn23)cc1)c1cccc(F)c1F
InChIInChI=1S/C22H13F5N2O/c23-18-6-3-5-16(19(18)24)21(30)28-14-9-7-13(8-10-14)20-17(22(25,26)27)12-15-4-1-2-11-29(15)20/h1-12H,(H,28,30)
InChIKeyLOKPCLOCVRXPGR-UHFFFAOYSA-N
MW416.35 g/mol
LogP6.16
Rot. Bonds3

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

2,3-difluoro-N-[4-[2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide (PubChem CID 11235393) has the molecular formula C22H13F5N2O and a molecular weight of 416.35 g/mol. Its IUPAC name is 2,3-difluoro-N-[4-[2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[4-[2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide
PubChem CID11235393
Molecular FormulaC22H13F5N2O
Molecular Weight416.35 g/mol
Exact Mass416.09
IUPAC Name2,3-difluoro-N-[4-[2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2c(C(F)(F)F)cc3ccccn23)cc1)c1cccc(F)c1F
InChIInChI=1S/C22H13F5N2O/c23-18-6-3-5-16(19(18)24)21(30)28-14-9-7-13(8-10-14)20-17(22(25,26)27)12-15-4-1-2-11-29(15)20/h1-12H,(H,28,30)
InChIKeyLOKPCLOCVRXPGR-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

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Related Compounds

2,3-difluoro-N-[4-[5-fluoro-2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide
CID 11487330
2,3-difluoro-N-[4-[1-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide
CID 11223775
[3-[4-[(2,3-difluorobenzoyl)amino]phenyl]-2-(trifluoromethyl)indolizin-6-yl] methyl carbonate
CID 67534038
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-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide
CID 151067192
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495
2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide
CID 110452028
5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 146341413
N-(4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 28739363
N-[4-[1-(chloromethyl)-5-methyl-3-(trifluoromethyl)pyrrol-2-yl]phenyl]-2,6-difluorobenzamide
CID 142993996
N-[4-[[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765591

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[4-[2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide?
The IUPAC name of 2,3-difluoro-N-[4-[2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide (CID 11235393) is 2,3-difluoro-N-[4-[2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[4-[2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[4-[2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide is O=C(Nc1ccc(-c2c(C(F)(F)F)cc3ccccn23)cc1)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[4-[2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide?
The InChIKey is LOKPCLOCVRXPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F5N2O/c23-18-6-3-5-16(19(18)24)21(30)28-14-9-7-13(8-10-14)20-17(22(25,26)27)12-15-4-1-2-11-29(15)20/h1-12H,(H,28,30).
What are the key properties of 2,3-difluoro-N-[4-[2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide?
2,3-difluoro-N-[4-[2-(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-[2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide is sourced from PubChem (CID 11235393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).