1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(2-pyridin-2-ylethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen

C164H153ClF10N12O26S2 — CID 159724951

About 1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(2-pyridin-2-ylethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(2-pyridin-2-ylethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 159724951) has the molecular formula C164H153ClF10N12O26S2 and a molecular weight of 2997.65 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(2-pyridin-2-ylethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(2-pyridin-2-ylethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 159724951
• Molecular Formula: C164H153ClF10N12O26S2
• Molecular Weight: 2997.65 g/mol
• Exact Mass: 2995.00
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(2-pyridin-2-ylethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CNS(=O)(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc(C(F)(F)F)c2)cc1.COc1ccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2C(F)(F)F)cc1.Cc1cc(F)c(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(C(=O)N(C)C)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(C(=O)NCCc2ccccn2)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1.O=C(Nc1cc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C32H29N3O4.C31H35N3O6S.C27H25FN2O4.C25H21F3N2O5S.C25H20F3NO4.C24H17ClF3NO3.3H2/c1-21-5-11-26(35-31(37)32(14-15-32)24-10-12-28-29(18-24)39-20-38-28)19-27(21)22-6-8-23(9-7-22)30(36)34-17-13-25-4-2-3-16-33-25;1-22-3-7-25(33-30(35)31(11-12-31)24-6-10-28-29(19-24)40-21-39-28)20-27(22)23-4-8-26(9-5-23)41(36,37)32-13-2-14-34-15-17-38-18-16-34;1-16-11-21(28)22(14-20(16)17-5-4-6-18(12-17)25(31)30(2)3)29-26(32)27(9-10-27)19-7-8-23-24(13-19)34-15-33-23;1-29-36(32,33)20-5-2-15(3-6-20)16-10-18(25(26,27)28)12-19(11-16)30-23(31)24(8-9-24)17-4-7-21-22(13-17)35-14-34-21;1-31-18-6-2-15(3-7-18)19-8-5-17(13-20(19)25(26,27)28)29-23(30)24(10-11-24)16-4-9-21-22(12-16)33-14-32-21;25-18-4-1-14(2-5-18)15-9-17(24(26,27)28)11-19(10-15)29-22(30)23(7-8-23)16-3-6-20-21(12-16)32-13-31-20;;;/h2-12,16,18-19H,13-15,17,20H2,1H3,(H,34,36)(H,35,37);3-10,19-20,32H,2,11-18,21H2,1H3,(H,33,35);4-8,11-14H,9-10,15H2,1-3H3,(H,29,32);2-7,10-13,29H,8-9,14H2,1H3,(H,30,31);2-9,12-13H,10-11,14H2,1H3,(H,29,30);1-6,9-12H,7-8,13H2,(H,29,30);3*1H
• InChIKey: NAMZZQLOZPJOLF-UHFFFAOYSA-N
• XLogP: 32.01
• TPSA: 461.70 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 38
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2997.65
LogP ≤ 5	32.01
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(2-pyridin-2-ylethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(2-pyridin-2-ylethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 159724951) is 1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(2-pyridin-2-ylethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(2-pyridin-2-ylethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(2-pyridin-2-ylethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is CNS(=O)(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc(C(F)(F)F)c2)cc1.COc1ccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2C(F)(F)F)cc1.Cc1cc(F)c(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(C(=O)N(C)C)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(C(=O)NCCc2ccccn2)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1.O=C(Nc1cc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].[H][H].

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(2-pyridin-2-ylethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is NAMZZQLOZPJOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O4.C31H35N3O6S.C27H25FN2O4.C25H21F3N2O5S.C25H20F3NO4.C24H17ClF3NO3.3H2/c1-21-5-11-26(35-31(37)32(14-15-32)24-10-12-28-29(18-24)39-20-38-28)19-27(21)22-6-8-23(9-7-22)30(36)34-17-13-25-4-2-3-16-33-25;1-22-3-7-25(33-30(35)31(11-12-31)24-6-10-28-29(19-24)40-21-39-28)20-27(22)23-4-8-26(9-5-23)41(36,37)32-13-2-14-34-15-17-38-18-16-34;1-16-11-21(28)22(14-20(16)17-5-4-6-18(12-17)25(31)30(2)3)29-26(32)27(9-10-27)19-7-8-23-24(13-19)34-15-33-23;1-29-36(32,33)20-5-2-15(3-6-20)16-10-18(25(26,27)28)12-19(11-16)30-23(31)24(8-9-24)17-4-7-21-22(13-17)35-14-34-21;1-31-18-6-2-15(3-7-18)19-8-5-17(13-20(19)25(26,27)28)29-23(30)24(10-11-24)16-4-9-21-22(12-16)33-14-32-21;25-18-4-1-14(2-5-18)15-9-17(24(26,27)28)11-19(10-15)29-22(30)23(7-8-23)16-3-6-20-21(12-16)32-13-31-20;;;/h2-12,16,18-19H,13-15,17,20H2,1H3,(H,34,36)(H,35,37);3-10,19-20,32H,2,11-18,21H2,1H3,(H,33,35);4-8,11-14H,9-10,15H2,1-3H3,(H,29,32);2-7,10-13,29H,8-9,14H2,1H3,(H,30,31);2-9,12-13H,10-11,14H2,1H3,(H,29,30);1-6,9-12H,7-8,13H2,(H,29,30);3*1H.

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(2-pyridin-2-ylethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(2-pyridin-2-ylethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2997.65 g/mol, XLogP of 32.01, 38 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(2-pyridin-2-ylethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 159724951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).