N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-[4-(methylaminomethyl)phenyl]phenyl]cyclopropane-1-carboxamide

C83H78F2N6O10 — CID 123686871

About N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-[4-(methylaminomethyl)phenyl]phenyl]cyclopropane-1-carboxamide

N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-[4-(methylaminomethyl)phenyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 123686871) has the molecular formula C83H78F2N6O10 and a molecular weight of 1357.56 g/mol. Its IUPAC name is N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-[4-(methylaminomethyl)phenyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-[4-(methylaminomethyl)phenyl]phenyl]cyclopropane-1-carboxamide
• PubChem CID: 123686871
• Molecular Formula: C83H78F2N6O10
• Molecular Weight: 1357.56 g/mol
• Exact Mass: 1356.57
• IUPAC Name: N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-[4-(methylaminomethyl)phenyl]phenyl]cyclopropane-1-carboxamide
• SMILES: CNCc1ccc(-c2cccc(NC(=O)C3(c4ccc(OC)cc4)CC3(C)C)c2)cc1.COc1ncccc1-c1cc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)ccc1C.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(CNC(=O)c2ccccc2)cc1
• InChI: InChI=1S/C32H28N2O4.C27H30N2O2.C24H20F2N2O4/c1-21-7-13-26(34-31(36)32(15-16-32)25-12-14-28-29(17-25)38-20-37-28)18-27(21)23-10-8-22(9-11-23)19-33-30(35)24-5-3-2-4-6-24;1-26(2)18-27(26,22-12-14-24(31-4)15-13-22)25(30)29-23-7-5-6-21(16-23)20-10-8-19(9-11-20)17-28-3;1-14-5-7-16(13-18(14)17-4-3-11-27-21(17)30-2)28-22(29)23(9-10-23)15-6-8-19-20(12-15)32-24(25,26)31-19/h2-14,17-18H,15-16,19-20H2,1H3,(H,33,35)(H,34,36);5-16,28H,17-18H2,1-4H3,(H,29,30);3-8,11-13H,9-10H2,1-2H3,(H,28,29)
• InChIKey: BTOHRKUEKNUELJ-UHFFFAOYSA-N
• XLogP: 16.44
• TPSA: 196.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1357.56
LogP ≤ 5	16.44
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-[4-(methylaminomethyl)phenyl]phenyl]cyclopropane-1-carboxamide?

The IUPAC name of N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-[4-(methylaminomethyl)phenyl]phenyl]cyclopropane-1-carboxamide (CID 123686871) is N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-[4-(methylaminomethyl)phenyl]phenyl]cyclopropane-1-carboxamide.

What is the SMILES notation for N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-[4-(methylaminomethyl)phenyl]phenyl]cyclopropane-1-carboxamide?

The canonical SMILES for N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-[4-(methylaminomethyl)phenyl]phenyl]cyclopropane-1-carboxamide is CNCc1ccc(-c2cccc(NC(=O)C3(c4ccc(OC)cc4)CC3(C)C)c2)cc1.COc1ncccc1-c1cc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)ccc1C.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(CNC(=O)c2ccccc2)cc1.

What is the InChIKey of N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-[4-(methylaminomethyl)phenyl]phenyl]cyclopropane-1-carboxamide?

The InChIKey is BTOHRKUEKNUELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O4.C27H30N2O2.C24H20F2N2O4/c1-21-7-13-26(34-31(36)32(15-16-32)25-12-14-28-29(17-25)38-20-37-28)18-27(21)23-10-8-22(9-11-23)19-33-30(35)24-5-3-2-4-6-24;1-26(2)18-27(26,22-12-14-24(31-4)15-13-22)25(30)29-23-7-5-6-21(16-23)20-10-8-19(9-11-20)17-28-3;1-14-5-7-16(13-18(14)17-4-3-11-27-21(17)30-2)28-22(29)23(9-10-23)15-6-8-19-20(12-15)32-24(25,26)31-19/h2-14,17-18H,15-16,19-20H2,1H3,(H,33,35)(H,34,36);5-16,28H,17-18H2,1-4H3,(H,29,30);3-8,11-13H,9-10H2,1-2H3,(H,28,29).

What are the key properties of N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-[4-(methylaminomethyl)phenyl]phenyl]cyclopropane-1-carboxamide?

N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-[4-(methylaminomethyl)phenyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 1357.56 g/mol, XLogP of 16.44, 19 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-[4-(methylaminomethyl)phenyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 123686871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).