N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;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-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]thiophene-2-carboxamide

C165H150BrF6N9O20S4 — CID 159713537

IUPACN-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;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-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]thiophene-2-carboxamide
SMILESCOc1cccc(CC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)c1C.Cc1ccc(Br)cc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ccc12)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCO2)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1N1CCCC1)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1OC(F)F)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1OC(F)F)c1cccs1
InChIInChI=1S/C25H26N2O2S.C24H22BrNO3.C24H20F3NO3.C24H20FNO4.C23H20N2O2S.C23H23NO3S.C22H19F2NO3S/c28-23(18-20-11-4-5-12-22(20)27-14-6-7-15-27)21(17-19-9-2-1-3-10-19)26-25(29)24-13-8-16-30-24;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;26-21(15-17-8-4-9-19-18(17)11-12-24-19)20(14-16-6-2-1-3-7-16)25-23(27)22-10-5-13-28-22;1-16-18(10-6-11-21(16)27-2)15-20(25)19(14-17-8-4-3-5-9-17)24-23(26)22-12-7-13-28-22;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/h1-5,8-13,16,21H,6-7,14-15,17-18H2,(H,26,29);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);1-13,20,24H,14-15H2,(H,25,27);3-13,19H,14-15H2,1-2H3,(H,24,26);1-12,17,22H,13-14H2,(H,25,27)
InChIKeyMZDJVFHHRMPBJY-UHFFFAOYSA-N
MW2901.22 g/mol
LogP30.51
Rot. Bonds55

About N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;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-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]thiophene-2-carboxamide

N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;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-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]thiophene-2-carboxamide (PubChem CID 159713537) has the molecular formula C165H150BrF6N9O20S4 and a molecular weight of 2901.22 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;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-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;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-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]thiophene-2-carboxamide
PubChem CID159713537
Molecular FormulaC165H150BrF6N9O20S4
Molecular Weight2901.22 g/mol
Exact Mass2897.90
IUPAC NameN-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;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-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]thiophene-2-carboxamide
SMILESCOc1cccc(CC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)c1C.Cc1ccc(Br)cc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ccc12)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCO2)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1N1CCCC1)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1OC(F)F)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1OC(F)F)c1cccs1
InChIInChI=1S/C25H26N2O2S.C24H22BrNO3.C24H20F3NO3.C24H20FNO4.C23H20N2O2S.C23H23NO3S.C22H19F2NO3S/c28-23(18-20-11-4-5-12-22(20)27-14-6-7-15-27)21(17-19-9-2-1-3-10-19)26-25(29)24-13-8-16-30-24;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;26-21(15-17-8-4-9-19-18(17)11-12-24-19)20(14-16-6-2-1-3-7-16)25-23(27)22-10-5-13-28-22;1-16-18(10-6-11-21(16)27-2)15-20(25)19(14-17-8-4-3-5-9-17)24-23(26)22-12-7-13-28-22;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/h1-5,8-13,16,21H,6-7,14-15,17-18H2,(H,26,29);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);1-13,20,24H,14-15H2,(H,25,27);3-13,19H,14-15H2,1-2H3,(H,24,26);1-12,17,22H,13-14H2,(H,25,27)
InChIKeyMZDJVFHHRMPBJY-UHFFFAOYSA-N
XLogP30.51
TPSA408.60 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds55
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002901.22
LogP ≤ 530.51
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Analyze N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;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-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]thiophene-2-carboxamide
CID 160677728
N-[4-(1,3-benzodioxol-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]-2-bromobenzamide;N-[4-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;2-fluoro-N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[3-oxo-1-phenyl-4-(2-thiomorpholin-4-ylphenyl)butan-2-yl]benzamide
CID 162150189
2-chloro-N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-[5-fluoro-2-(fluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;2-fluoro-N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]thiophene-2-carboxamide
CID 157070710
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
N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(5-bromo-2-methylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(1H-indol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(3-methoxy-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-oxo-3-phenyl-1-(2-pyrrolidin-1-ylanilino)propan-2-yl]thiophene-2-carboxamide
CID 158301775
N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide
CID 158925120
N-[4-(1-benzofuran-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-benzothiophen-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-benzothiophen-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide
CID 160187126
CID 160639102
CID 160639102

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-(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-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;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-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]thiophene-2-carboxamide (CID 159713537) is N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;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-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;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-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;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-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]thiophene-2-carboxamide is COc1cccc(CC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)c1C.Cc1ccc(Br)cc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ccc12)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCO2)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1N1CCCC1)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-(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-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]thiophene-2-carboxamide?
The InChIKey is MZDJVFHHRMPBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2S.C24H22BrNO3.C24H20F3NO3.C24H20FNO4.C23H20N2O2S.C23H23NO3S.C22H19F2NO3S/c28-23(18-20-11-4-5-12-22(20)27-14-6-7-15-27)21(17-19-9-2-1-3-10-19)26-25(29)24-13-8-16-30-24;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;26-21(15-17-8-4-9-19-18(17)11-12-24-19)20(14-16-6-2-1-3-7-16)25-23(27)22-10-5-13-28-22;1-16-18(10-6-11-21(16)27-2)15-20(25)19(14-17-8-4-3-5-9-17)24-23(26)22-12-7-13-28-22;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/h1-5,8-13,16,21H,6-7,14-15,17-18H2,(H,26,29);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);1-13,20,24H,14-15H2,(H,25,27);3-13,19H,14-15H2,1-2H3,(H,24,26);1-12,17,22H,13-14H2,(H,25,27).
What are the key properties of N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;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-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]thiophene-2-carboxamide?
N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;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-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]thiophene-2-carboxamide has a molecular weight of 2901.22 g/mol, XLogP of 30.51, 55 rotatable bonds, 9 hydrogen bond donors, and 25 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-(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-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 159713537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).