3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-2-chloro-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2R)-1-hydroxybutan-2-yl]benzamide;2-[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]acetic acid;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)-2-(trifluoromethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen

C158H157ClF3N11O28S — CID 162118886

IUPAC3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-2-chloro-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2R)-1-hydroxybutan-2-yl]benzamide;2-[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]acetic acid;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)-2-(trifluoromethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCC[C@H](CO)NC(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1.CNC(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1Cl.CNC(=O)c1cccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2OC)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(CC(=O)O)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(=O)(=O)N(C)C)cc1C(F)(F)F.NC(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C29H30N2O5.C27H25F3N2O5S.C26H23ClN2O4.C26H24N2O5.C26H23NO5.C24H20N2O4.6H2/c1-3-22(16-32)30-27(33)20-7-5-19(6-8-20)24-15-23(10-4-18(24)2)31-28(34)29(12-13-29)21-9-11-25-26(14-21)36-17-35-25;1-16-4-6-18(31-25(33)26(10-11-26)17-5-9-23-24(12-17)37-15-36-23)13-21(16)20-8-7-19(38(34,35)32(2)3)14-22(20)27(28,29)30;1-15-3-6-18(13-20(15)16-4-7-19(21(27)11-16)24(30)28-2)29-25(31)26(9-10-26)17-5-8-22-23(12-17)33-14-32-22;1-27-24(29)17-5-3-4-16(12-17)20-14-19(7-9-21(20)31-2)28-25(30)26(10-11-26)18-6-8-22-23(13-18)33-15-32-22;1-16-2-8-20(14-21(16)18-5-3-17(4-6-18)12-24(28)29)27-25(30)26(10-11-26)19-7-9-22-23(13-19)32-15-31-22;25-22(27)16-6-4-15(5-7-16)17-2-1-3-19(12-17)26-23(28)24(10-11-24)18-8-9-20-21(13-18)30-14-29-20;;;;;;/h4-11,14-15,22,32H,3,12-13,16-17H2,1-2H3,(H,30,33)(H,31,34);4-9,12-14H,10-11,15H2,1-3H3,(H,31,33);3-8,11-13H,9-10,14H2,1-2H3,(H,28,30)(H,29,31);3-9,12-14H,10-11,15H2,1-2H3,(H,27,29)(H,28,30);2-9,13-14H,10-12,15H2,1H3,(H,27,30)(H,28,29);1-9,12-13H,10-11,14H2,(H2,25,27)(H,26,28);6*1H/t22-;;;;;;;;;;;/m1.........../s1
InChIKeyZHDIXKIBEPRJMQ-DWSZEBPRSA-N
MW2782.56 g/mol
LogP29.10
Rot. Bonds36

About 3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-2-chloro-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2R)-1-hydroxybutan-2-yl]benzamide;2-[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]acetic acid;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)-2-(trifluoromethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen

3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-2-chloro-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2R)-1-hydroxybutan-2-yl]benzamide;2-[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]acetic acid;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)-2-(trifluoromethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 162118886) has the molecular formula C158H157ClF3N11O28S and a molecular weight of 2782.56 g/mol. Its IUPAC name is 3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-2-chloro-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2R)-1-hydroxybutan-2-yl]benzamide;2-[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]acetic acid;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)-2-(trifluoromethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-2-chloro-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2R)-1-hydroxybutan-2-yl]benzamide;2-[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]acetic acid;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)-2-(trifluoromethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID162118886
Molecular FormulaC158H157ClF3N11O28S
Molecular Weight2782.56 g/mol
Exact Mass2780.06
IUPAC Name3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-2-chloro-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2R)-1-hydroxybutan-2-yl]benzamide;2-[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]acetic acid;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)-2-(trifluoromethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCC[C@H](CO)NC(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1.CNC(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1Cl.CNC(=O)c1cccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2OC)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(CC(=O)O)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(=O)(=O)N(C)C)cc1C(F)(F)F.NC(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C29H30N2O5.C27H25F3N2O5S.C26H23ClN2O4.C26H24N2O5.C26H23NO5.C24H20N2O4.6H2/c1-3-22(16-32)30-27(33)20-7-5-19(6-8-20)24-15-23(10-4-18(24)2)31-28(34)29(12-13-29)21-9-11-25-26(14-21)36-17-35-25;1-16-4-6-18(31-25(33)26(10-11-26)17-5-9-23-24(12-17)37-15-36-23)13-21(16)20-8-7-19(38(34,35)32(2)3)14-22(20)27(28,29)30;1-15-3-6-18(13-20(15)16-4-7-19(21(27)11-16)24(30)28-2)29-25(31)26(9-10-26)17-5-8-22-23(12-17)33-14-32-22;1-27-24(29)17-5-3-4-16(12-17)20-14-19(7-9-21(20)31-2)28-25(30)26(10-11-26)18-6-8-22-23(13-18)33-15-32-22;1-16-2-8-20(14-21(16)18-5-3-17(4-6-18)12-24(28)29)27-25(30)26(10-11-26)19-7-9-22-23(13-19)32-15-31-22;25-22(27)16-6-4-15(5-7-16)17-2-1-3-19(12-17)26-23(28)24(10-11-24)18-8-9-20-21(13-18)30-14-29-20;;;;;;/h4-11,14-15,22,32H,3,12-13,16-17H2,1-2H3,(H,30,33)(H,31,34);4-9,12-14H,10-11,15H2,1-3H3,(H,31,33);3-8,11-13H,9-10,14H2,1-2H3,(H,28,30)(H,29,31);3-9,12-14H,10-11,15H2,1-2H3,(H,27,29)(H,28,30);2-9,13-14H,10-12,15H2,1H3,(H,27,30)(H,28,29);1-9,12-13H,10-11,14H2,(H2,25,27)(H,26,28);6*1H/t22-;;;;;;;;;;;/m1.........../s1
InChIKeyZHDIXKIBEPRJMQ-DWSZEBPRSA-N
XLogP29.10
TPSA519.89 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds36
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002782.56
LogP ≤ 529.10
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Analyze 3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-2-chloro-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2R)-1-hydroxybutan-2-yl]benzamide;2-[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]acetic acid;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)-2-(trifluoromethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-methylphenyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide;molecular hydrogen
CID 161400233
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N,N-dimethylbenzamide
CID 59206018
N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide
CID 25152868
1-(1,3-benzodioxol-5-yl)-N-[3-[4-(1,3-dihydroxypropan-2-ylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide
CID 59206259
1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-ethylphenyl]cyclopropane-1-carboxamide
CID 59206290
CID 59256231
CID 59256231
N-[3-[4-acetamido-2-(trifluoromethyl)phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 59206252
1-(1,3-benzodioxol-5-yl)-N-[4-methoxy-3-[4-[(Z)-pent-2-en-3-yl]sulfonylphenyl]phenyl]cyclopropane-1-carboxamide
CID 71034924
1-(1,3-benzodioxol-5-yl)-N-[4-phenyl-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159543458
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid
CID 59206051
1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[(2-methylbutanoylamino)methyl]phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 158764288

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-2-chloro-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2R)-1-hydroxybutan-2-yl]benzamide;2-[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]acetic acid;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)-2-(trifluoromethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-2-chloro-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2R)-1-hydroxybutan-2-yl]benzamide;2-[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]acetic acid;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)-2-(trifluoromethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 162118886) is 3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-2-chloro-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2R)-1-hydroxybutan-2-yl]benzamide;2-[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]acetic acid;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)-2-(trifluoromethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-2-chloro-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2R)-1-hydroxybutan-2-yl]benzamide;2-[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]acetic acid;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)-2-(trifluoromethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-2-chloro-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2R)-1-hydroxybutan-2-yl]benzamide;2-[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]acetic acid;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)-2-(trifluoromethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen is CC[C@H](CO)NC(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1.CNC(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1Cl.CNC(=O)c1cccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2OC)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(CC(=O)O)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(=O)(=O)N(C)C)cc1C(F)(F)F.NC(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-2-chloro-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2R)-1-hydroxybutan-2-yl]benzamide;2-[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]acetic acid;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)-2-(trifluoromethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is ZHDIXKIBEPRJMQ-DWSZEBPRSA-N. The full InChI is InChI=1S/C29H30N2O5.C27H25F3N2O5S.C26H23ClN2O4.C26H24N2O5.C26H23NO5.C24H20N2O4.6H2/c1-3-22(16-32)30-27(33)20-7-5-19(6-8-20)24-15-23(10-4-18(24)2)31-28(34)29(12-13-29)21-9-11-25-26(14-21)36-17-35-25;1-16-4-6-18(31-25(33)26(10-11-26)17-5-9-23-24(12-17)37-15-36-23)13-21(16)20-8-7-19(38(34,35)32(2)3)14-22(20)27(28,29)30;1-15-3-6-18(13-20(15)16-4-7-19(21(27)11-16)24(30)28-2)29-25(31)26(9-10-26)17-5-8-22-23(12-17)33-14-32-22;1-27-24(29)17-5-3-4-16(12-17)20-14-19(7-9-21(20)31-2)28-25(30)26(10-11-26)18-6-8-22-23(13-18)33-15-32-22;1-16-2-8-20(14-21(16)18-5-3-17(4-6-18)12-24(28)29)27-25(30)26(10-11-26)19-7-9-22-23(13-19)32-15-31-22;25-22(27)16-6-4-15(5-7-16)17-2-1-3-19(12-17)26-23(28)24(10-11-24)18-8-9-20-21(13-18)30-14-29-20;;;;;;/h4-11,14-15,22,32H,3,12-13,16-17H2,1-2H3,(H,30,33)(H,31,34);4-9,12-14H,10-11,15H2,1-3H3,(H,31,33);3-8,11-13H,9-10,14H2,1-2H3,(H,28,30)(H,29,31);3-9,12-14H,10-11,15H2,1-2H3,(H,27,29)(H,28,30);2-9,13-14H,10-12,15H2,1H3,(H,27,30)(H,28,29);1-9,12-13H,10-11,14H2,(H2,25,27)(H,26,28);6*1H/t22-;;;;;;;;;;;/m1.........../s1.
What are the key properties of 3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-2-chloro-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2R)-1-hydroxybutan-2-yl]benzamide;2-[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]acetic acid;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)-2-(trifluoromethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen?
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-2-chloro-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2R)-1-hydroxybutan-2-yl]benzamide;2-[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]acetic acid;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)-2-(trifluoromethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2782.56 g/mol, XLogP of 29.10, 36 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-2-chloro-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2R)-1-hydroxybutan-2-yl]benzamide;2-[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]acetic acid;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)-2-(trifluoromethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 162118886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).