N-[4-[4-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-chlorophenyl)-3-methylphenyl]cyclopropane-1-carboxamide;3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluorophenyl]-N,N-dimethylbenzamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-5-(trifluoromethyl)benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen

C205H192Cl2F4N12O32S2 — CID 159628633

IUPACN-[4-[4-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-chlorophenyl)-3-methylphenyl]cyclopropane-1-carboxamide;3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluorophenyl]-N,N-dimethylbenzamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-5-(trifluoromethyl)benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCN(C)C(=O)c1cccc(-c2ccc(F)c(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)c1.Cc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1-c1ccc(Cl)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cc(C(=O)O)cc(C(F)(F)F)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(Cl)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(=O)(=O)N(C)C)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(=O)(=O)N2CCCCC2CO)cc1.Cc1ccccc1-c1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1C.NCc1ccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2)cc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C30H32N2O6S.C26H20F3NO5.C26H23FN2O4.C26H26N2O5S.C25H23NO3.2C24H20ClNO3.C24H22N2O3.3H2/c1-20-5-9-23(31-29(34)30(13-14-30)22-8-12-27-28(16-22)38-19-37-27)17-26(20)21-6-10-25(11-7-21)39(35,36)32-15-3-2-4-24(32)18-33;1-14-2-4-19(12-20(14)15-8-16(23(31)32)10-18(9-15)26(27,28)29)30-24(33)25(6-7-25)17-3-5-21-22(11-17)35-13-34-21;1-29(2)24(30)18-5-3-4-16(12-18)17-6-8-20(27)21(13-17)28-25(31)26(10-11-26)19-7-9-22-23(14-19)33-15-32-22;1-17-4-8-20(15-22(17)18-5-9-21(10-6-18)34(30,31)28(2)3)27-25(29)26(12-13-26)19-7-11-23-24(14-19)33-16-32-23;1-16-5-3-4-6-20(16)21-14-19(9-7-17(21)2)26-24(27)25(11-12-25)18-8-10-22-23(13-18)29-15-28-22;1-15-2-8-19(13-20(15)16-3-6-18(25)7-4-16)26-23(27)24(10-11-24)17-5-9-21-22(12-17)29-14-28-21;1-15-12-19(7-8-20(15)16-2-5-18(25)6-3-16)26-23(27)24(10-11-24)17-4-9-21-22(13-17)29-14-28-21;25-14-16-1-3-17(4-2-16)18-5-8-20(9-6-18)26-23(27)24(11-12-24)19-7-10-21-22(13-19)29-15-28-21;;;/h5-12,16-17,24,33H,2-4,13-15,18-19H2,1H3,(H,31,34);2-5,8-12H,6-7,13H2,1H3,(H,30,33)(H,31,32);3-9,12-14H,10-11,15H2,1-2H3,(H,28,31);4-11,14-15H,12-13,16H2,1-3H3,(H,27,29);3-10,13-14H,11-12,15H2,1-2H3,(H,26,27);2*2-9,12-13H,10-11,14H2,1H3,(H,26,27);1-10,13H,11-12,14-15,25H2,(H,26,27);3*1H
InChIKeyMOVFHVMAGQLXRK-UHFFFAOYSA-N
MW3546.87 g/mol
LogP41.03
Rot. Bonds40

About N-[4-[4-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-chlorophenyl)-3-methylphenyl]cyclopropane-1-carboxamide;3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluorophenyl]-N,N-dimethylbenzamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-5-(trifluoromethyl)benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen

N-[4-[4-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-chlorophenyl)-3-methylphenyl]cyclopropane-1-carboxamide;3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluorophenyl]-N,N-dimethylbenzamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-5-(trifluoromethyl)benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 159628633) has the molecular formula C205H192Cl2F4N12O32S2 and a molecular weight of 3546.87 g/mol. Its IUPAC name is N-[4-[4-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-chlorophenyl)-3-methylphenyl]cyclopropane-1-carboxamide;3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluorophenyl]-N,N-dimethylbenzamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-5-(trifluoromethyl)benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[4-[4-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-chlorophenyl)-3-methylphenyl]cyclopropane-1-carboxamide;3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluorophenyl]-N,N-dimethylbenzamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-5-(trifluoromethyl)benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID159628633
Molecular FormulaC205H192Cl2F4N12O32S2
Molecular Weight3546.87 g/mol
Exact Mass3543.25
IUPAC NameN-[4-[4-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-chlorophenyl)-3-methylphenyl]cyclopropane-1-carboxamide;3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluorophenyl]-N,N-dimethylbenzamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-5-(trifluoromethyl)benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCN(C)C(=O)c1cccc(-c2ccc(F)c(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)c1.Cc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1-c1ccc(Cl)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cc(C(=O)O)cc(C(F)(F)F)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(Cl)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(=O)(=O)N(C)C)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(=O)(=O)N2CCCCC2CO)cc1.Cc1ccccc1-c1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1C.NCc1ccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2)cc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C30H32N2O6S.C26H20F3NO5.C26H23FN2O4.C26H26N2O5S.C25H23NO3.2C24H20ClNO3.C24H22N2O3.3H2/c1-20-5-9-23(31-29(34)30(13-14-30)22-8-12-27-28(16-22)38-19-37-27)17-26(20)21-6-10-25(11-7-21)39(35,36)32-15-3-2-4-24(32)18-33;1-14-2-4-19(12-20(14)15-8-16(23(31)32)10-18(9-15)26(27,28)29)30-24(33)25(6-7-25)17-3-5-21-22(11-17)35-13-34-21;1-29(2)24(30)18-5-3-4-16(12-18)17-6-8-20(27)21(13-17)28-25(31)26(10-11-26)19-7-9-22-23(14-19)33-15-32-22;1-17-4-8-20(15-22(17)18-5-9-21(10-6-18)34(30,31)28(2)3)27-25(29)26(12-13-26)19-7-11-23-24(14-19)33-16-32-23;1-16-5-3-4-6-20(16)21-14-19(9-7-17(21)2)26-24(27)25(11-12-25)18-8-10-22-23(13-18)29-15-28-22;1-15-2-8-19(13-20(15)16-3-6-18(25)7-4-16)26-23(27)24(10-11-24)17-5-9-21-22(12-17)29-14-28-21;1-15-12-19(7-8-20(15)16-2-5-18(25)6-3-16)26-23(27)24(10-11-24)17-4-9-21-22(13-17)29-14-28-21;25-14-16-1-3-17(4-2-16)18-5-8-20(9-6-18)26-23(27)24(11-12-24)19-7-10-21-22(13-19)29-15-28-21;;;/h5-12,16-17,24,33H,2-4,13-15,18-19H2,1H3,(H,31,34);2-5,8-12H,6-7,13H2,1H3,(H,30,33)(H,31,32);3-9,12-14H,10-11,15H2,1-2H3,(H,28,31);4-11,14-15H,12-13,16H2,1-3H3,(H,27,29);3-10,13-14H,11-12,15H2,1-2H3,(H,26,27);2*2-9,12-13H,10-11,14H2,1H3,(H,26,27);1-10,13H,11-12,14-15,25H2,(H,26,27);3*1H
InChIKeyMOVFHVMAGQLXRK-UHFFFAOYSA-N
XLogP41.03
TPSA559.10 Ų
H-Bond Donors11
H-Bond Acceptors32
Rotatable Bonds40
Heavy Atoms257
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003546.87
LogP ≤ 541.03
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1032

Analyze N-[4-[4-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-chlorophenyl)-3-methylphenyl]cyclopropane-1-carboxamide;3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluorophenyl]-N,N-dimethylbenzamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-5-(trifluoromethyl)benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-chlorophenyl)-3-methylphenyl]cyclopropane-1-carboxamide;3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluorophenyl]-N,N-dimethylbenzamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-5-(trifluoromethyl)benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of N-[4-[4-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-chlorophenyl)-3-methylphenyl]cyclopropane-1-carboxamide;3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluorophenyl]-N,N-dimethylbenzamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-5-(trifluoromethyl)benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 159628633) is N-[4-[4-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-chlorophenyl)-3-methylphenyl]cyclopropane-1-carboxamide;3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluorophenyl]-N,N-dimethylbenzamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-5-(trifluoromethyl)benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[4-[4-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-chlorophenyl)-3-methylphenyl]cyclopropane-1-carboxamide;3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluorophenyl]-N,N-dimethylbenzamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-5-(trifluoromethyl)benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for N-[4-[4-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-chlorophenyl)-3-methylphenyl]cyclopropane-1-carboxamide;3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluorophenyl]-N,N-dimethylbenzamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-5-(trifluoromethyl)benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is CN(C)C(=O)c1cccc(-c2ccc(F)c(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)c1.Cc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1-c1ccc(Cl)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cc(C(=O)O)cc(C(F)(F)F)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(Cl)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(=O)(=O)N(C)C)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(=O)(=O)N2CCCCC2CO)cc1.Cc1ccccc1-c1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1C.NCc1ccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2)cc1.[H][H].[H][H].[H][H].
What is the InChIKey of N-[4-[4-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-chlorophenyl)-3-methylphenyl]cyclopropane-1-carboxamide;3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluorophenyl]-N,N-dimethylbenzamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-5-(trifluoromethyl)benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is MOVFHVMAGQLXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O6S.C26H20F3NO5.C26H23FN2O4.C26H26N2O5S.C25H23NO3.2C24H20ClNO3.C24H22N2O3.3H2/c1-20-5-9-23(31-29(34)30(13-14-30)22-8-12-27-28(16-22)38-19-37-27)17-26(20)21-6-10-25(11-7-21)39(35,36)32-15-3-2-4-24(32)18-33;1-14-2-4-19(12-20(14)15-8-16(23(31)32)10-18(9-15)26(27,28)29)30-24(33)25(6-7-25)17-3-5-21-22(11-17)35-13-34-21;1-29(2)24(30)18-5-3-4-16(12-18)17-6-8-20(27)21(13-17)28-25(31)26(10-11-26)19-7-9-22-23(14-19)33-15-32-22;1-17-4-8-20(15-22(17)18-5-9-21(10-6-18)34(30,31)28(2)3)27-25(29)26(12-13-26)19-7-11-23-24(14-19)33-16-32-23;1-16-5-3-4-6-20(16)21-14-19(9-7-17(21)2)26-24(27)25(11-12-25)18-8-10-22-23(13-18)29-15-28-22;1-15-2-8-19(13-20(15)16-3-6-18(25)7-4-16)26-23(27)24(10-11-24)17-5-9-21-22(12-17)29-14-28-21;1-15-12-19(7-8-20(15)16-2-5-18(25)6-3-16)26-23(27)24(10-11-24)17-4-9-21-22(13-17)29-14-28-21;25-14-16-1-3-17(4-2-16)18-5-8-20(9-6-18)26-23(27)24(11-12-24)19-7-10-21-22(13-19)29-15-28-21;;;/h5-12,16-17,24,33H,2-4,13-15,18-19H2,1H3,(H,31,34);2-5,8-12H,6-7,13H2,1H3,(H,30,33)(H,31,32);3-9,12-14H,10-11,15H2,1-2H3,(H,28,31);4-11,14-15H,12-13,16H2,1-3H3,(H,27,29);3-10,13-14H,11-12,15H2,1-2H3,(H,26,27);2*2-9,12-13H,10-11,14H2,1H3,(H,26,27);1-10,13H,11-12,14-15,25H2,(H,26,27);3*1H.
What are the key properties of N-[4-[4-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-chlorophenyl)-3-methylphenyl]cyclopropane-1-carboxamide;3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluorophenyl]-N,N-dimethylbenzamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-5-(trifluoromethyl)benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
N-[4-[4-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-chlorophenyl)-3-methylphenyl]cyclopropane-1-carboxamide;3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluorophenyl]-N,N-dimethylbenzamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-5-(trifluoromethyl)benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 3546.87 g/mol, XLogP of 41.03, 40 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-chlorophenyl)-3-methylphenyl]cyclopropane-1-carboxamide;3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluorophenyl]-N,N-dimethylbenzamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-5-(trifluoromethyl)benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 159628633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).