N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]benzamide;fluorobenzene

C31H29F7N2O3 — CID 143583296

IUPACN-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]benzamide;fluorobenzene
SMILESCC1C(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CN2C(=O)CC(NC(=O)c3ccccc3)CC12.Fc1ccccc1
InChIInChI=1S/C25H24F6N2O3.C6H5F/c1-14-20-10-19(32-23(35)16-5-3-2-4-6-16)11-22(34)33(20)12-21(14)36-13-15-7-17(24(26,27)28)9-18(8-15)25(29,30)31;7-6-4-2-1-3-5-6/h2-9,14,19-21H,10-13H2,1H3,(H,32,35);1-5H
InChIKeyWLBIBGZFZCJWJY-UHFFFAOYSA-N
MW610.57 g/mol
LogP6.87
Rot. Bonds5

About N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]benzamide;fluorobenzene

N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]benzamide;fluorobenzene (PubChem CID 143583296) has the molecular formula C31H29F7N2O3 and a molecular weight of 610.57 g/mol. Its IUPAC name is N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]benzamide;fluorobenzene.

Molecular Properties

Compound NameN-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]benzamide;fluorobenzene
PubChem CID143583296
Molecular FormulaC31H29F7N2O3
Molecular Weight610.57 g/mol
Exact Mass610.21
IUPAC NameN-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]benzamide;fluorobenzene
SMILESCC1C(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CN2C(=O)CC(NC(=O)c3ccccc3)CC12.Fc1ccccc1
InChIInChI=1S/C25H24F6N2O3.C6H5F/c1-14-20-10-19(32-23(35)16-5-3-2-4-6-16)11-22(34)33(20)12-21(14)36-13-15-7-17(24(26,27)28)9-18(8-15)25(29,30)31;7-6-4-2-1-3-5-6/h2-9,14,19-21H,10-13H2,1H3,(H,32,35);1-5H
InChIKeyWLBIBGZFZCJWJY-UHFFFAOYSA-N
XLogP6.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.57
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]benzamide;fluorobenzene 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'-[(1s,2r)-2-[(2r,4r)-4-(Benzyloxy)pyrrolidin-2-Yl]-1-(3,5-Difluorobenzyl)-2-Hydroxyethyl]-5-Methyl-N,N-Dipropylisophthalamide
CID 11556254
N-(2-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3.2.1]oct-8-yl}-ethyl)-benzamide
CID 44342204
1-N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-phenylmethoxypyrrolidin-1-ium-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 44629525
N-(2-((3S,4S)-4-(benzyloxy)-1-(cis-4-phenylcyclohexyl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
CID 52944966
2-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-3H-isoindol-1-one
CID 73347698
[(2S,3aS,7aS)-1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methyl benzoate
CID 118722414
US9790230, Example 63
CID 129115639
US9790230, Example 96
CID 129115643
N-(3-(2-phenylmorpholino)propyl)-3-(trifluoromethyl)benzamide
CID 16892509
N-(4-(2-phenylmorpholino)butyl)-3-(trifluoromethyl)benzamide
CID 16892603
[(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-yl] 3-[cyclohexyl(methyl)carbamoyl]-5-methylbenzoate
CID 9985888
[(2R,3S)-3-amino-1-[(3-butan-2-ylphenyl)methylamino]-4-(3,5-difluorophenyl)butan-2-yl] 3-(dipropylcarbamoyl)-5-methylbenzoate
CID 9986151

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]benzamide;fluorobenzene?
The IUPAC name of N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]benzamide;fluorobenzene (CID 143583296) is N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]benzamide;fluorobenzene.
What is the SMILES notation for N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]benzamide;fluorobenzene?
The canonical SMILES for N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]benzamide;fluorobenzene is CC1C(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CN2C(=O)CC(NC(=O)c3ccccc3)CC12.Fc1ccccc1.
What is the InChIKey of N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]benzamide;fluorobenzene?
The InChIKey is WLBIBGZFZCJWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F6N2O3.C6H5F/c1-14-20-10-19(32-23(35)16-5-3-2-4-6-16)11-22(34)33(20)12-21(14)36-13-15-7-17(24(26,27)28)9-18(8-15)25(29,30)31;7-6-4-2-1-3-5-6/h2-9,14,19-21H,10-13H2,1H3,(H,32,35);1-5H.
What are the key properties of N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]benzamide;fluorobenzene?
N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]benzamide;fluorobenzene has a molecular weight of 610.57 g/mol, XLogP of 6.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]benzamide;fluorobenzene is sourced from PubChem (CID 143583296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).