2-[2-[1-cyano-3-(2,6-dimethylanilino)-6,8-difluoroindolizin-2-yl]phenoxy]acetamide

C25H20F2N4O2 — CID 24987557

IUPAC2-[2-[1-cyano-3-(2,6-dimethylanilino)-6,8-difluoroindolizin-2-yl]phenoxy]acetamide
SMILESCc1cccc(C)c1Nc1c(-c2ccccc2OCC(N)=O)c(C#N)c2c(F)cc(F)cn12
InChIInChI=1S/C25H20F2N4O2/c1-14-6-5-7-15(2)23(14)30-25-22(17-8-3-4-9-20(17)33-13-21(29)32)18(11-28)24-19(27)10-16(26)12-31(24)25/h3-10,12,30H,13H2,1-2H3,(H2,29,32)
InChIKeyMFMPMRUYBKFXSV-UHFFFAOYSA-N
MW446.46 g/mol
LogP4.98
Rot. Bonds6

About 2-[2-[1-cyano-3-(2,6-dimethylanilino)-6,8-difluoroindolizin-2-yl]phenoxy]acetamide

2-[2-[1-cyano-3-(2,6-dimethylanilino)-6,8-difluoroindolizin-2-yl]phenoxy]acetamide (PubChem CID 24987557) has the molecular formula C25H20F2N4O2 and a molecular weight of 446.46 g/mol. Its IUPAC name is 2-[2-[1-cyano-3-(2,6-dimethylanilino)-6,8-difluoroindolizin-2-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[1-cyano-3-(2,6-dimethylanilino)-6,8-difluoroindolizin-2-yl]phenoxy]acetamide
PubChem CID24987557
Molecular FormulaC25H20F2N4O2
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC Name2-[2-[1-cyano-3-(2,6-dimethylanilino)-6,8-difluoroindolizin-2-yl]phenoxy]acetamide
SMILESCc1cccc(C)c1Nc1c(-c2ccccc2OCC(N)=O)c(C#N)c2c(F)cc(F)cn12
InChIInChI=1S/C25H20F2N4O2/c1-14-6-5-7-15(2)23(14)30-25-22(17-8-3-4-9-20(17)33-13-21(29)32)18(11-28)24-19(27)10-16(26)12-31(24)25/h3-10,12,30H,13H2,1-2H3,(H2,29,32)
InChIKeyMFMPMRUYBKFXSV-UHFFFAOYSA-N
XLogP4.98
TPSA92.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[6-cyano-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
CID 67351019
2-[2-[1-cyano-3-(2,6-dichloroanilino)indolizin-2-yl]phenoxy]acetamide
CID 24987554
2-[4-amino-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
CID 24854757
2-[2-[3-(2,6-dimethylanilino)-5-fluoroimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
CID 24855245
2-[3-cyano-2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
CID 67350699
2-[3-(2-amino-2-oxoethoxy)-4-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-5-ethylphenoxy]acetamide
CID 67349337
2-[2-[6-fluoro-3-(4-fluoro-2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide
CID 67349425
2-[5-(1-amino-2-oxoethoxy)-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide
CID 87365965
2-[2-[6-fluoro-3-(2-methyl-6-nitroanilino)imidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide
CID 67352744
2-[2-[1-[(2,6-dimethylphenyl)methyl]-6-fluorobenzimidazol-2-yl]phenoxy]acetamide
CID 24995061
2-[2-(2-fluoro-6-methoxyphenyl)-4-methylphenoxy]acetamide
CID 56717628
2-[2-[3-(2-chloro-6-methylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenoxy]acetamide
CID 24855191

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-cyano-3-(2,6-dimethylanilino)-6,8-difluoroindolizin-2-yl]phenoxy]acetamide?
The IUPAC name of 2-[2-[1-cyano-3-(2,6-dimethylanilino)-6,8-difluoroindolizin-2-yl]phenoxy]acetamide (CID 24987557) is 2-[2-[1-cyano-3-(2,6-dimethylanilino)-6,8-difluoroindolizin-2-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-[1-cyano-3-(2,6-dimethylanilino)-6,8-difluoroindolizin-2-yl]phenoxy]acetamide?
The canonical SMILES for 2-[2-[1-cyano-3-(2,6-dimethylanilino)-6,8-difluoroindolizin-2-yl]phenoxy]acetamide is Cc1cccc(C)c1Nc1c(-c2ccccc2OCC(N)=O)c(C#N)c2c(F)cc(F)cn12.
What is the InChIKey of 2-[2-[1-cyano-3-(2,6-dimethylanilino)-6,8-difluoroindolizin-2-yl]phenoxy]acetamide?
The InChIKey is MFMPMRUYBKFXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O2/c1-14-6-5-7-15(2)23(14)30-25-22(17-8-3-4-9-20(17)33-13-21(29)32)18(11-28)24-19(27)10-16(26)12-31(24)25/h3-10,12,30H,13H2,1-2H3,(H2,29,32).
What are the key properties of 2-[2-[1-cyano-3-(2,6-dimethylanilino)-6,8-difluoroindolizin-2-yl]phenoxy]acetamide?
2-[2-[1-cyano-3-(2,6-dimethylanilino)-6,8-difluoroindolizin-2-yl]phenoxy]acetamide has a molecular weight of 446.46 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-cyano-3-(2,6-dimethylanilino)-6,8-difluoroindolizin-2-yl]phenoxy]acetamide is sourced from PubChem (CID 24987557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).