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

C146H126BrF8N9O20S2 — CID 162150189

About 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

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 (PubChem CID 162150189) has the molecular formula C146H126BrF8N9O20S2 and a molecular weight of 2622.68 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 162150189
• Molecular Formula: C146H126BrF8N9O20S2
• Molecular Weight: 2622.68 g/mol
• Exact Mass: 2619.76
• IUPAC Name: 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
• SMILES: Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1ccccc1OC(F)F.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2c1OCO2)c1ccccc1Br.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ncc12)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OC(F)(F)O2)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OC(F)(F)O2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1N1CCSCC1)c1ccccc1
• InChI: InChI=1S/C27H28N2O2S.C25H23F2NO3.C24H20BrNO5.C24H18F3NO4.C24H20FN3O2.C22H17F2NO4S/c30-26(20-23-13-7-8-14-25(23)29-15-17-32-18-16-29)24(19-21-9-3-1-4-10-21)28-27(31)22-11-5-2-6-12-22;1-17-9-5-7-13-20(17)24(30)28-21(15-18-10-3-2-4-11-18)22(29)16-19-12-6-8-14-23(19)31-25(26)27;25-19-6-2-1-5-18(19)24(29)26-20(12-15-8-10-17(27)11-9-15)21(28)13-16-4-3-7-22-23(16)31-14-30-22;25-18-11-5-4-10-17(18)23(30)28-19(13-15-7-2-1-3-8-15)20(29)14-16-9-6-12-21-22(16)32-24(26,27)31-21;25-20-11-5-4-10-18(20)24(30)27-22(13-16-7-2-1-3-8-16)23(29)14-17-9-6-12-21-19(17)15-26-28-21;23-22(24)28-18-9-4-8-15(20(18)29-22)13-17(26)16(12-14-6-2-1-3-7-14)25-21(27)19-10-5-11-30-19/h1-14,24H,15-20H2,(H,28,31);2-14,21,25H,15-16H2,1H3,(H,28,30);1-11,20,27H,12-14H2,(H,26,29);1-12,19H,13-14H2,(H,28,30);1-12,15,22H,13-14H2,(H,26,28)(H,27,30);1-11,16H,12-13H2,(H,25,27)
• InChIKey: ZLCFCMOEJYRSEU-UHFFFAOYSA-N
• XLogP: 25.56
• TPSA: 393.78 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 45
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2622.68
LogP ≤ 5	25.56
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1ccccc1OC(F)F.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2c1OCO2)c1ccccc1Br.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ncc12)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OC(F)(F)O2)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OC(F)(F)O2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1N1CCSCC1)c1ccccc1.

What is the InChIKey of 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?

The InChIKey is ZLCFCMOEJYRSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2S.C25H23F2NO3.C24H20BrNO5.C24H18F3NO4.C24H20FN3O2.C22H17F2NO4S/c30-26(20-23-13-7-8-14-25(23)29-15-17-32-18-16-29)24(19-21-9-3-1-4-10-21)28-27(31)22-11-5-2-6-12-22;1-17-9-5-7-13-20(17)24(30)28-21(15-18-10-3-2-4-11-18)22(29)16-19-12-6-8-14-23(19)31-25(26)27;25-19-6-2-1-5-18(19)24(29)26-20(12-15-8-10-17(27)11-9-15)21(28)13-16-4-3-7-22-23(16)31-14-30-22;25-18-11-5-4-10-17(18)23(30)28-19(13-15-7-2-1-3-8-15)20(29)14-16-9-6-12-21-22(16)32-24(26,27)31-21;25-20-11-5-4-10-18(20)24(30)27-22(13-16-7-2-1-3-8-16)23(29)14-17-9-6-12-21-19(17)15-26-28-21;23-22(24)28-18-9-4-8-15(20(18)29-22)13-17(26)16(12-14-6-2-1-3-7-14)25-21(27)19-10-5-11-30-19/h1-14,24H,15-20H2,(H,28,31);2-14,21,25H,15-16H2,1H3,(H,28,30);1-11,20,27H,12-14H2,(H,26,29);1-12,19H,13-14H2,(H,28,30);1-12,15,22H,13-14H2,(H,26,28)(H,27,30);1-11,16H,12-13H2,(H,25,27).

What are the key properties of 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?

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 has a molecular weight of 2622.68 g/mol, XLogP of 25.56, 45 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 162150189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).