N-[3-(4-acetylphenyl)-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-diethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2,3-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(3-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen

C160H147F10N9O27S2 — CID 159636969

About N-[3-(4-acetylphenyl)-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-diethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2,3-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(3-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen

N-[3-(4-acetylphenyl)-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-diethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2,3-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(3-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 159636969) has the molecular formula C160H147F10N9O27S2 and a molecular weight of 2882.09 g/mol. Its IUPAC name is N-[3-(4-acetylphenyl)-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-diethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2,3-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(3-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[3-(4-acetylphenyl)-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-diethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2,3-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(3-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 159636969
• Molecular Formula: C160H147F10N9O27S2
• Molecular Weight: 2882.09 g/mol
• Exact Mass: 2879.97
• IUPAC Name: N-[3-(4-acetylphenyl)-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-diethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2,3-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(3-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CC(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1.CCN(CC)C(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc(C(F)(F)F)c2)cc1.COc1cccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2C(F)(F)F)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(F)c1F.O=C(Nc1cccc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)c1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.[H][H].[H][H]
• InChI: InChI=1S/C29H27F3N2O4.C28H26F2N2O6S.C28H28N2O6S.C26H23NO4.C25H20F3NO4.C24H19F2NO3.2H2/c1-3-34(4-2)26(35)19-7-5-18(6-8-19)20-13-22(29(30,31)32)15-23(14-20)33-27(36)28(11-12-28)21-9-10-24-25(16-21)38-17-37-24;29-28(30)37-24-11-8-20(16-25(24)38-28)27(12-13-27)26(34)31-21-4-1-3-19(15-21)18-6-9-23(10-7-18)39(35,36)32-14-2-5-22(32)17-33;1-19-2-6-22(29-27(31)28(10-11-28)21-5-9-25-26(16-21)36-18-35-25)17-24(19)20-3-7-23(8-4-20)37(32,33)30-12-14-34-15-13-30;1-16-3-9-21(14-22(16)19-6-4-18(5-7-19)17(2)28)27-25(29)26(11-12-26)20-8-10-23-24(13-20)31-15-30-23;1-31-18-4-2-3-15(11-18)19-7-6-17(13-20(19)25(26,27)28)29-23(30)24(9-10-24)16-5-8-21-22(12-16)33-14-32-21;1-14-5-7-16(12-18(14)17-3-2-4-19(25)22(17)26)27-23(28)24(9-10-24)15-6-8-20-21(11-15)30-13-29-20;;/h5-10,13-16H,3-4,11-12,17H2,1-2H3,(H,33,36);1,3-4,6-11,15-16,22,33H,2,5,12-14,17H2,(H,31,34);2-9,16-17H,10-15,18H2,1H3,(H,29,31);3-10,13-14H,11-12,15H2,1-2H3,(H,27,29);2-8,11-13H,9-10,14H2,1H3,(H,29,30);2-8,11-12H,9-10,13H2,1H3,(H,27,28);2*1H/t;22-;;;;;;/m.1....../s1
• InChIKey: MPWFHVWABJHKGP-ONMSWMTISA-N
• XLogP: 31.70
• TPSA: 436.19 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 34
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2882.09
LogP ≤ 5	31.70
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylphenyl)-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-diethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2,3-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(3-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of N-[3-(4-acetylphenyl)-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-diethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2,3-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(3-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 159636969) is N-[3-(4-acetylphenyl)-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-diethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2,3-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(3-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[3-(4-acetylphenyl)-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-diethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2,3-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(3-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for N-[3-(4-acetylphenyl)-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-diethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2,3-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(3-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen is CC(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1.CCN(CC)C(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc(C(F)(F)F)c2)cc1.COc1cccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2C(F)(F)F)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(F)c1F.O=C(Nc1cccc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)c1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.[H][H].[H][H].

What is the InChIKey of N-[3-(4-acetylphenyl)-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-diethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2,3-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(3-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is MPWFHVWABJHKGP-ONMSWMTISA-N. The full InChI is InChI=1S/C29H27F3N2O4.C28H26F2N2O6S.C28H28N2O6S.C26H23NO4.C25H20F3NO4.C24H19F2NO3.2H2/c1-3-34(4-2)26(35)19-7-5-18(6-8-19)20-13-22(29(30,31)32)15-23(14-20)33-27(36)28(11-12-28)21-9-10-24-25(16-21)38-17-37-24;29-28(30)37-24-11-8-20(16-25(24)38-28)27(12-13-27)26(34)31-21-4-1-3-19(15-21)18-6-9-23(10-7-18)39(35,36)32-14-2-5-22(32)17-33;1-19-2-6-22(29-27(31)28(10-11-28)21-5-9-25-26(16-21)36-18-35-25)17-24(19)20-3-7-23(8-4-20)37(32,33)30-12-14-34-15-13-30;1-16-3-9-21(14-22(16)19-6-4-18(5-7-19)17(2)28)27-25(29)26(11-12-26)20-8-10-23-24(13-20)31-15-30-23;1-31-18-4-2-3-15(11-18)19-7-6-17(13-20(19)25(26,27)28)29-23(30)24(9-10-24)16-5-8-21-22(12-16)33-14-32-21;1-14-5-7-16(12-18(14)17-3-2-4-19(25)22(17)26)27-23(28)24(9-10-24)15-6-8-20-21(11-15)30-13-29-20;;/h5-10,13-16H,3-4,11-12,17H2,1-2H3,(H,33,36);1,3-4,6-11,15-16,22,33H,2,5,12-14,17H2,(H,31,34);2-9,16-17H,10-15,18H2,1H3,(H,29,31);3-10,13-14H,11-12,15H2,1-2H3,(H,27,29);2-8,11-13H,9-10,14H2,1H3,(H,29,30);2-8,11-12H,9-10,13H2,1H3,(H,27,28);2*1H/t;22-;;;;;;/m.1....../s1.

What are the key properties of N-[3-(4-acetylphenyl)-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-diethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2,3-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(3-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

N-[3-(4-acetylphenyl)-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-diethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2,3-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(3-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2882.09 g/mol, XLogP of 31.70, 34 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-acetylphenyl)-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-diethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2,3-difluorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(3-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 159636969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).