N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(5-bromo-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide

C142H124BrF6N7O19S2 — CID 157146267

IUPACN-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(5-bromo-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide
SMILESCc1ccc(Br)cc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCO2)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCO2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1OC(F)F)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1OC(F)F)c1cccs1
InChIInChI=1S/C26H24N2O2.C24H22BrNO3.C24H20F3NO3.C24H20FNO4.C22H19F2NO3S.C22H19NO4S/c1-18-8-5-6-13-22(18)26(30)28-23(16-19-9-3-2-4-10-19)24(29)17-21-12-7-11-20-14-15-27-25(20)21;1-16-7-10-20(25)14-19(16)15-23(28)22(13-17-8-11-21(27)12-9-17)26-24(29)18-5-3-2-4-6-18;25-19-12-6-5-11-18(19)23(30)28-20(14-16-8-2-1-3-9-16)21(29)15-17-10-4-7-13-22(17)31-24(26)27;25-19-11-5-4-10-18(19)24(28)26-20(13-16-7-2-1-3-8-16)21(27)14-17-9-6-12-22-23(17)30-15-29-22;23-22(24)28-19-10-5-4-9-16(19)14-18(26)17(13-15-7-2-1-3-8-15)25-21(27)20-11-6-12-29-20;24-18(13-16-8-4-9-19-21(16)27-14-26-19)17(12-15-6-2-1-3-7-15)23-22(25)20-10-5-11-28-20/h2-15,23,27H,16-17H2,1H3,(H,28,30);2-12,14,22,27H,13,15H2,1H3,(H,26,29);1-13,20,24H,14-15H2,(H,28,30);1-12,20H,13-15H2,(H,26,28);1-12,17,22H,13-14H2,(H,25,27);1-11,17H,12-14H2,(H,23,25)
InChIKeyAKSULXFGYYKOEP-UHFFFAOYSA-N
MW2490.61 g/mol
LogP25.66
Rot. Bonds46

About N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(5-bromo-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide

N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(5-bromo-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide (PubChem CID 157146267) has the molecular formula C142H124BrF6N7O19S2 and a molecular weight of 2490.61 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(5-bromo-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(5-bromo-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide
PubChem CID157146267
Molecular FormulaC142H124BrF6N7O19S2
Molecular Weight2490.61 g/mol
Exact Mass2487.75
IUPAC NameN-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(5-bromo-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide
SMILESCc1ccc(Br)cc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCO2)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCO2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1OC(F)F)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1OC(F)F)c1cccs1
InChIInChI=1S/C26H24N2O2.C24H22BrNO3.C24H20F3NO3.C24H20FNO4.C22H19F2NO3S.C22H19NO4S/c1-18-8-5-6-13-22(18)26(30)28-23(16-19-9-3-2-4-10-19)24(29)17-21-12-7-11-20-14-15-27-25(20)21;1-16-7-10-20(25)14-19(16)15-23(28)22(13-17-8-11-21(27)12-9-17)26-24(29)18-5-3-2-4-6-18;25-19-12-6-5-11-18(19)23(30)28-20(14-16-8-2-1-3-9-16)21(29)15-17-10-4-7-13-22(17)31-24(26)27;25-19-11-5-4-10-18(19)24(28)26-20(13-16-7-2-1-3-8-16)21(27)14-17-9-6-12-22-23(17)30-15-29-22;23-22(24)28-19-10-5-4-9-16(19)14-18(26)17(13-15-7-2-1-3-8-15)25-21(27)20-11-6-12-29-20;24-18(13-16-8-4-9-19-21(16)27-14-26-19)17(12-15-6-2-1-3-7-15)23-22(25)20-10-5-11-28-20/h2-15,23,27H,16-17H2,1H3,(H,28,30);2-12,14,22,27H,13,15H2,1H3,(H,26,29);1-13,20,24H,14-15H2,(H,28,30);1-12,20H,13-15H2,(H,26,28);1-12,17,22H,13-14H2,(H,25,27);1-11,17H,12-14H2,(H,23,25)
InChIKeyAKSULXFGYYKOEP-UHFFFAOYSA-N
XLogP25.66
TPSA368.42 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds46
Heavy Atoms177
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002490.61
LogP ≤ 525.66
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(5-bromo-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(5-bromo-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(5-bromo-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide (CID 157146267) is N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(5-bromo-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(5-bromo-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(5-bromo-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide is Cc1ccc(Br)cc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCO2)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCO2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1OC(F)F)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1OC(F)F)c1cccs1.
What is the InChIKey of N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(5-bromo-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide?
The InChIKey is AKSULXFGYYKOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2.C24H22BrNO3.C24H20F3NO3.C24H20FNO4.C22H19F2NO3S.C22H19NO4S/c1-18-8-5-6-13-22(18)26(30)28-23(16-19-9-3-2-4-10-19)24(29)17-21-12-7-11-20-14-15-27-25(20)21;1-16-7-10-20(25)14-19(16)15-23(28)22(13-17-8-11-21(27)12-9-17)26-24(29)18-5-3-2-4-6-18;25-19-12-6-5-11-18(19)23(30)28-20(14-16-8-2-1-3-9-16)21(29)15-17-10-4-7-13-22(17)31-24(26)27;25-19-11-5-4-10-18(19)24(28)26-20(13-16-7-2-1-3-8-16)21(27)14-17-9-6-12-22-23(17)30-15-29-22;23-22(24)28-19-10-5-4-9-16(19)14-18(26)17(13-15-7-2-1-3-8-15)25-21(27)20-11-6-12-29-20;24-18(13-16-8-4-9-19-21(16)27-14-26-19)17(12-15-6-2-1-3-7-15)23-22(25)20-10-5-11-28-20/h2-15,23,27H,16-17H2,1H3,(H,28,30);2-12,14,22,27H,13,15H2,1H3,(H,26,29);1-13,20,24H,14-15H2,(H,28,30);1-12,20H,13-15H2,(H,26,28);1-12,17,22H,13-14H2,(H,25,27);1-11,17H,12-14H2,(H,23,25).
What are the key properties of N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(5-bromo-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide?
N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(5-bromo-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide has a molecular weight of 2490.61 g/mol, XLogP of 25.66, 46 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(5-bromo-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 157146267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).