1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]butan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-methylpentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(propan-2-yl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]pentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-3-phenylpropan-1-one

C146H176F8N12O8 — CID 158860741

IUPAC1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]butan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-methylpentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(propan-2-yl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]pentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-3-phenylpropan-1-one
SMILESCCCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C.CCCCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C.CCc1cc(C(=O)CN(C)CC(C)C)c(CC)n1-c1ccc(F)cc1.Cc1cc(C(=O)CCC(C)C)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CCc2ccccc2)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CN(C)C(C)C)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CN(C)C)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CN(C)CC(C)C)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C21H29FN2O.C21H20FNO.C19H25FN2O.C18H23FN2O.C18H22FNO.C17H20FNO.C16H19FN2O.C16H18FNO/c1-6-17-12-19(21(25)14-23(5)13-15(3)4)20(7-2)24(17)18-10-8-16(22)9-11-18;1-15-14-20(21(24)13-8-17-6-4-3-5-7-17)16(2)23(15)19-11-9-18(22)10-12-19;1-13(2)11-21(5)12-19(23)18-10-14(3)22(15(18)4)17-8-6-16(20)7-9-17;1-12(2)20(5)11-18(22)17-10-13(3)21(14(17)4)16-8-6-15(19)7-9-16;1-12(2)5-10-18(21)17-11-13(3)20(14(17)4)16-8-6-15(19)7-9-16;1-4-5-6-17(20)16-11-12(2)19(13(16)3)15-9-7-14(18)8-10-15;1-11-9-15(16(20)10-18(3)4)12(2)19(11)14-7-5-13(17)6-8-14;1-4-5-16(19)15-10-11(2)18(12(15)3)14-8-6-13(17)7-9-14/h8-12,15H,6-7,13-14H2,1-5H3;3-7,9-12,14H,8,13H2,1-2H3;6-10,13H,11-12H2,1-5H3;6-10,12H,11H2,1-5H3;6-9,11-12H,5,10H2,1-4H3;7-11H,4-6H2,1-3H3;5-9H,10H2,1-4H3;6-10H,4-5H2,1-3H3
InChIKeyJAPUDVKIILIXDO-UHFFFAOYSA-N
MW2379.07 g/mol
LogP33.97
Rot. Bonds42

About 1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]butan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-methylpentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(propan-2-yl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]pentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-3-phenylpropan-1-one

1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]butan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-methylpentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(propan-2-yl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]pentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-3-phenylpropan-1-one (PubChem CID 158860741) has the molecular formula C146H176F8N12O8 and a molecular weight of 2379.07 g/mol. Its IUPAC name is 1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]butan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-methylpentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(propan-2-yl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]pentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]butan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-methylpentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(propan-2-yl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]pentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-3-phenylpropan-1-one
PubChem CID158860741
Molecular FormulaC146H176F8N12O8
Molecular Weight2379.07 g/mol
Exact Mass2377.36
IUPAC Name1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]butan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-methylpentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(propan-2-yl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]pentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-3-phenylpropan-1-one
SMILESCCCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C.CCCCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C.CCc1cc(C(=O)CN(C)CC(C)C)c(CC)n1-c1ccc(F)cc1.Cc1cc(C(=O)CCC(C)C)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CCc2ccccc2)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CN(C)C(C)C)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CN(C)C)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CN(C)CC(C)C)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C21H29FN2O.C21H20FNO.C19H25FN2O.C18H23FN2O.C18H22FNO.C17H20FNO.C16H19FN2O.C16H18FNO/c1-6-17-12-19(21(25)14-23(5)13-15(3)4)20(7-2)24(17)18-10-8-16(22)9-11-18;1-15-14-20(21(24)13-8-17-6-4-3-5-7-17)16(2)23(15)19-11-9-18(22)10-12-19;1-13(2)11-21(5)12-19(23)18-10-14(3)22(15(18)4)17-8-6-16(20)7-9-17;1-12(2)20(5)11-18(22)17-10-13(3)21(14(17)4)16-8-6-15(19)7-9-16;1-12(2)5-10-18(21)17-11-13(3)20(14(17)4)16-8-6-15(19)7-9-16;1-4-5-6-17(20)16-11-12(2)19(13(16)3)15-9-7-14(18)8-10-15;1-11-9-15(16(20)10-18(3)4)12(2)19(11)14-7-5-13(17)6-8-14;1-4-5-16(19)15-10-11(2)18(12(15)3)14-8-6-13(17)7-9-14/h8-12,15H,6-7,13-14H2,1-5H3;3-7,9-12,14H,8,13H2,1-2H3;6-10,13H,11-12H2,1-5H3;6-10,12H,11H2,1-5H3;6-9,11-12H,5,10H2,1-4H3;7-11H,4-6H2,1-3H3;5-9H,10H2,1-4H3;6-10H,4-5H2,1-3H3
InChIKeyJAPUDVKIILIXDO-UHFFFAOYSA-N
XLogP33.97
TPSA188.96 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds42
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002379.07
LogP ≤ 533.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze 1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]butan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-methylpentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(propan-2-yl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]pentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-3-phenylpropan-1-one with MolForge

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Related Compounds

1-[5-[[5-[[5-[2-[3-acetyl-5-[[5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-4-methyl-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 123180968
1-[1-[3-[[1-[2-[1-(2-Fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]pyrrolidin-3-yl]methyl]phenyl]-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone
CID 123748452
3-[3-acetyl-5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-4-methyl-1H-pyrrol-2-yl]-1-[5-[[5-[(4-acetyl-1,3,5-trimethylpyrrol-2-yl)-(2-methylphenyl)methyl]-1H-pyrrol-2-yl]-(2-iodophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propan-1-one
CID 154469178
5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;bis(5-[2-[(4,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[4-methyl-4-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
CID 157419181
bis(1-(4-aminocyclohexyl)-5-tert-butyl-N-[3-(1,1-difluoroethyl)phenyl]-2-methylpyrrole-3-carboxamide);bis(5-tert-butyl-N-[3-(1,1-difluoroethyl)phenyl]-2-methyl-1-[4-(methylamino)cyclohexyl]pyrrole-3-carboxamide)
CID 157529401
5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(3,3-difluoro-2-methylbutan-2-yl)amino]-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;5-[2-[(1,4-dimethylcyclohexyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(2-methylpropylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[4-methyl-4-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
CID 157599813
4-[2,5-dimethyl-3-[2-[(2S)-2-methyl-7-azabicyclo[2.2.1]heptan-7-yl]acetyl]pyrrol-1-yl]benzonitrile;4-[2,5-dimethyl-3-[2-[(2S)-2-(trifluoromethyl)-7-azabicyclo[2.2.1]heptan-7-yl]acetyl]pyrrol-1-yl]benzonitrile;4-[3-fluoro-2,5-dimethyl-4-[2-[(2S)-2-methyl-7-azabicyclo[2.2.1]heptan-7-yl]acetyl]pyrrol-1-yl]benzonitrile
CID 160776023
5-[2-[[(2S)-butan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(2R)-butan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(2-methylpropylamino)-2-oxoacetyl]pyrrole-3-carboxamide);N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[4-methyl-4-(trifluoromethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
CID 161700268
3-[3-acetyl-5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-4-methyl-1H-pyrrol-2-yl]-1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(2-iodophenyl)methyl]-1H-pyrrol-2-yl]-(2-iodophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propan-1-one
CID 163541843
[1-Methyl-5-[[1-methyl-5-(2,3,4,5,6-pentafluorobenzoyl)pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 139048966
1-[1-(4-Fluorophenyl)-2-methyl-5-phenylpyrrol-3-yl]ethanone
CID 139069709
1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone;1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(2-methylphenyl)methyl]-1H-pyrrol-2-yl]-(2-methylphenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 145620365

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]butan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-methylpentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(propan-2-yl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]pentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]butan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-methylpentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(propan-2-yl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]pentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-3-phenylpropan-1-one (CID 158860741) is 1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]butan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-methylpentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(propan-2-yl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]pentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]butan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-methylpentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(propan-2-yl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]pentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]butan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-methylpentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(propan-2-yl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]pentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-3-phenylpropan-1-one is CCCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C.CCCCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C.CCc1cc(C(=O)CN(C)CC(C)C)c(CC)n1-c1ccc(F)cc1.Cc1cc(C(=O)CCC(C)C)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CCc2ccccc2)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CN(C)C(C)C)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CN(C)C)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CN(C)CC(C)C)c(C)n1-c1ccc(F)cc1.
What is the InChIKey of 1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]butan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-methylpentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(propan-2-yl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]pentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-3-phenylpropan-1-one?
The InChIKey is JAPUDVKIILIXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O.C21H20FNO.C19H25FN2O.C18H23FN2O.C18H22FNO.C17H20FNO.C16H19FN2O.C16H18FNO/c1-6-17-12-19(21(25)14-23(5)13-15(3)4)20(7-2)24(17)18-10-8-16(22)9-11-18;1-15-14-20(21(24)13-8-17-6-4-3-5-7-17)16(2)23(15)19-11-9-18(22)10-12-19;1-13(2)11-21(5)12-19(23)18-10-14(3)22(15(18)4)17-8-6-16(20)7-9-17;1-12(2)20(5)11-18(22)17-10-13(3)21(14(17)4)16-8-6-15(19)7-9-16;1-12(2)5-10-18(21)17-11-13(3)20(14(17)4)16-8-6-15(19)7-9-16;1-4-5-6-17(20)16-11-12(2)19(13(16)3)15-9-7-14(18)8-10-15;1-11-9-15(16(20)10-18(3)4)12(2)19(11)14-7-5-13(17)6-8-14;1-4-5-16(19)15-10-11(2)18(12(15)3)14-8-6-13(17)7-9-14/h8-12,15H,6-7,13-14H2,1-5H3;3-7,9-12,14H,8,13H2,1-2H3;6-10,13H,11-12H2,1-5H3;6-10,12H,11H2,1-5H3;6-9,11-12H,5,10H2,1-4H3;7-11H,4-6H2,1-3H3;5-9H,10H2,1-4H3;6-10H,4-5H2,1-3H3.
What are the key properties of 1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]butan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-methylpentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(propan-2-yl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]pentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-3-phenylpropan-1-one?
1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]butan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-methylpentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(propan-2-yl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]pentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-3-phenylpropan-1-one has a molecular weight of 2379.07 g/mol, XLogP of 33.97, 42 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]butan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(2-methylpropyl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-methylpentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl(propan-2-yl)amino]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]pentan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 158860741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).