N-[4-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]-N-methylpyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(3-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen

C156H140F7N11O25 — CID 158382644

IUPACN-[4-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]-N-methylpyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(3-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCN(C)C(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C(=O)O)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(CN(C)C(=O)c2cnccn2)cc1.Cc1cccc(-c2ccc(F)c(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)c1.NCc1cccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2)c1.O=C(Nc1cc(-c2ccc(CO)cc2)cc(C(F)(F)F)c1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Nc1ccc(OC(F)(F)F)c(-c2cccc(CO)c2)c1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C31H28N4O4.C27H24N2O6.C25H20F3NO5.C25H20F3NO4.C24H20FNO3.C24H22N2O3.3H2/c1-20-3-9-24(34-30(37)31(11-12-31)23-8-10-27-28(15-23)39-19-38-27)16-25(20)22-6-4-21(5-7-22)18-35(2)29(36)26-17-32-13-14-33-26;1-29(2)24(30)17-5-3-16(4-6-17)21-14-19(8-9-20(21)25(31)32)28-26(33)27(11-12-27)18-7-10-22-23(13-18)35-15-34-22;26-25(27,28)34-20-7-5-18(12-19(20)16-3-1-2-15(10-16)13-30)29-23(31)24(8-9-24)17-4-6-21-22(11-17)33-14-32-21;26-25(27,28)19-9-17(16-3-1-15(13-30)2-4-16)10-20(11-19)29-23(31)24(7-8-24)18-5-6-21-22(12-18)33-14-32-21;1-15-3-2-4-16(11-15)17-5-7-19(25)20(12-17)26-23(27)24(9-10-24)18-6-8-21-22(13-18)29-14-28-21;25-14-16-2-1-3-18(12-16)17-4-7-20(8-5-17)26-23(27)24(10-11-24)19-6-9-21-22(13-19)29-15-28-21;;;/h3-10,13-17H,11-12,18-19H2,1-2H3,(H,34,37);3-10,13-14H,11-12,15H2,1-2H3,(H,28,33)(H,31,32);1-7,10-12,30H,8-9,13-14H2,(H,29,31);1-6,9-12,30H,7-8,13-14H2,(H,29,31);2-8,11-13H,9-10,14H2,1H3,(H,26,27);1-9,12-13H,10-11,14-15,25H2,(H,26,27);3*1H
InChIKeyGVZFQRPCKXJEME-UHFFFAOYSA-N
MW2701.87 g/mol
LogP29.83
Rot. Bonds33

About N-[4-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]-N-methylpyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(3-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen

N-[4-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]-N-methylpyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(3-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 158382644) has the molecular formula C156H140F7N11O25 and a molecular weight of 2701.87 g/mol. Its IUPAC name is N-[4-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]-N-methylpyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(3-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[4-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]-N-methylpyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(3-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID158382644
Molecular FormulaC156H140F7N11O25
Molecular Weight2701.87 g/mol
Exact Mass2699.99
IUPAC NameN-[4-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]-N-methylpyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(3-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCN(C)C(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C(=O)O)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(CN(C)C(=O)c2cnccn2)cc1.Cc1cccc(-c2ccc(F)c(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)c1.NCc1cccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2)c1.O=C(Nc1cc(-c2ccc(CO)cc2)cc(C(F)(F)F)c1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Nc1ccc(OC(F)(F)F)c(-c2cccc(CO)c2)c1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C31H28N4O4.C27H24N2O6.C25H20F3NO5.C25H20F3NO4.C24H20FNO3.C24H22N2O3.3H2/c1-20-3-9-24(34-30(37)31(11-12-31)23-8-10-27-28(15-23)39-19-38-27)16-25(20)22-6-4-21(5-7-22)18-35(2)29(36)26-17-32-13-14-33-26;1-29(2)24(30)17-5-3-16(4-6-17)21-14-19(8-9-20(21)25(31)32)28-26(33)27(11-12-27)18-7-10-22-23(13-18)35-15-34-22;26-25(27,28)34-20-7-5-18(12-19(20)16-3-1-2-15(10-16)13-30)29-23(31)24(8-9-24)17-4-6-21-22(11-17)33-14-32-21;26-25(27,28)19-9-17(16-3-1-15(13-30)2-4-16)10-20(11-19)29-23(31)24(7-8-24)18-5-6-21-22(12-18)33-14-32-21;1-15-3-2-4-16(11-15)17-5-7-19(25)20(12-17)26-23(27)24(9-10-24)18-6-8-21-22(13-18)29-14-28-21;25-14-16-2-1-3-18(12-16)17-4-7-20(8-5-17)26-23(27)24(10-11-24)19-6-9-21-22(13-19)29-15-28-21;;;/h3-10,13-17H,11-12,18-19H2,1-2H3,(H,34,37);3-10,13-14H,11-12,15H2,1-2H3,(H,28,33)(H,31,32);1-7,10-12,30H,8-9,13-14H2,(H,29,31);1-6,9-12,30H,7-8,13-14H2,(H,29,31);2-8,11-13H,9-10,14H2,1H3,(H,26,27);1-9,12-13H,10-11,14-15,25H2,(H,26,27);3*1H
InChIKeyGVZFQRPCKXJEME-UHFFFAOYSA-N
XLogP29.83
TPSA464.77 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds33
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002701.87
LogP ≤ 529.83
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Analyze N-[4-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]-N-methylpyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(3-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen with MolForge

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Related Compounds

4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethoxy)phenyl]-N,N-dimethylbenzamide
CID 59206348
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethoxy)phenyl]-N,N-dimethylbenzamide
CID 59206710
4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoic acid
CID 59205934
1-(1,3-benzodioxol-5-yl)-N-[3-[4-[[2,2-dimethylpropanoyl(methyl)amino]methyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 157179186
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid
CID 59206051
4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-diethylbenzamide;molecular hydrogen
CID 158969538
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-5-methylbenzoic acid;molecular hydrogen
CID 161340639
4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]-N,N-dimethylbenzamide
CID 59207017
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N,N-dimethylbenzamide;molecular hydrogen
CID 162131419
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-propanoylphenyl]-N,N-dimethylbenzamide;molecular hydrogen
CID 158326032
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-4-fluorobenzoic acid
CID 59206233
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(2-pyridin-2-ylethyl)benzamide;molecular hydrogen
CID 160512375

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]-N-methylpyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(3-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of N-[4-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]-N-methylpyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(3-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 158382644) is N-[4-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]-N-methylpyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(3-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[4-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]-N-methylpyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(3-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for N-[4-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]-N-methylpyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(3-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is CN(C)C(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C(=O)O)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(CN(C)C(=O)c2cnccn2)cc1.Cc1cccc(-c2ccc(F)c(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)c1.NCc1cccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2)c1.O=C(Nc1cc(-c2ccc(CO)cc2)cc(C(F)(F)F)c1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Nc1ccc(OC(F)(F)F)c(-c2cccc(CO)c2)c1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].[H][H].
What is the InChIKey of N-[4-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]-N-methylpyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(3-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is GVZFQRPCKXJEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O4.C27H24N2O6.C25H20F3NO5.C25H20F3NO4.C24H20FNO3.C24H22N2O3.3H2/c1-20-3-9-24(34-30(37)31(11-12-31)23-8-10-27-28(15-23)39-19-38-27)16-25(20)22-6-4-21(5-7-22)18-35(2)29(36)26-17-32-13-14-33-26;1-29(2)24(30)17-5-3-16(4-6-17)21-14-19(8-9-20(21)25(31)32)28-26(33)27(11-12-27)18-7-10-22-23(13-18)35-15-34-22;26-25(27,28)34-20-7-5-18(12-19(20)16-3-1-2-15(10-16)13-30)29-23(31)24(8-9-24)17-4-6-21-22(11-17)33-14-32-21;26-25(27,28)19-9-17(16-3-1-15(13-30)2-4-16)10-20(11-19)29-23(31)24(7-8-24)18-5-6-21-22(12-18)33-14-32-21;1-15-3-2-4-16(11-15)17-5-7-19(25)20(12-17)26-23(27)24(9-10-24)18-6-8-21-22(13-18)29-14-28-21;25-14-16-2-1-3-18(12-16)17-4-7-20(8-5-17)26-23(27)24(10-11-24)19-6-9-21-22(13-19)29-15-28-21;;;/h3-10,13-17H,11-12,18-19H2,1-2H3,(H,34,37);3-10,13-14H,11-12,15H2,1-2H3,(H,28,33)(H,31,32);1-7,10-12,30H,8-9,13-14H2,(H,29,31);1-6,9-12,30H,7-8,13-14H2,(H,29,31);2-8,11-13H,9-10,14H2,1H3,(H,26,27);1-9,12-13H,10-11,14-15,25H2,(H,26,27);3*1H.
What are the key properties of N-[4-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]-N-methylpyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(3-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
N-[4-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]-N-methylpyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(3-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2701.87 g/mol, XLogP of 29.83, 33 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]-N-methylpyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(3-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 158382644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).