(3R,3aS,4S,5R,7aR)-5-[4-(azocane-1-carbonyl)-2-chlorophenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

C177H207Cl12N15O12 — CID 161473649

About (3R,3aS,4S,5R,7aR)-5-[4-(azocane-1-carbonyl)-2-chlorophenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

(3R,3aS,4S,5R,7aR)-5-[4-(azocane-1-carbonyl)-2-chlorophenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 161473649) has the molecular formula C177H207Cl12N15O12 and a molecular weight of 3162.13 g/mol. Its IUPAC name is (3R,3aS,4S,5R,7aR)-5-[4-(azocane-1-carbonyl)-2-chlorophenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

• Compound Name: (3R,3aS,4S,5R,7aR)-5-[4-(azocane-1-carbonyl)-2-chlorophenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
• PubChem CID: 161473649
• Molecular Formula: C177H207Cl12N15O12
• Molecular Weight: 3162.13 g/mol
• Exact Mass: 3154.23
• IUPAC Name: (3R,3aS,4S,5R,7aR)-5-[4-(azocane-1-carbonyl)-2-chlorophenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
• SMILES: CC1CCCCN1C(=O)c1ccc([C@@H]2CC[C@@]3(C)C(=O)N[C@H](C)[C@H]3[C@H]2c2ccc(Cl)cc2)c(Cl)c1.CC1CCCN1C(=O)c1ccc([C@@H]2CC[C@@]3(C)C(=O)N[C@H](C)[C@H]3[C@H]2c2ccc(Cl)cc2)c(Cl)c1.CCN(Cc1ccncc1)C(=O)c1ccc([C@@H]2CC[C@@]3(C)C(=O)N[C@H](C)[C@H]3[C@H]2c2ccc(Cl)cc2)c(Cl)c1.C[C@H]1NC(=O)[C@]2(C)CC[C@@H](c3ccc(C(=O)N(C)C4CCN(C)CC4)cc3Cl)[C@H](c3ccc(Cl)cc3)[C@H]12.C[C@H]1NC(=O)[C@]2(C)CC[C@@H](c3ccc(C(=O)N4CCCCCCC4)cc3Cl)[C@H](c3ccc(Cl)cc3)[C@H]12.C[C@H]1NC(=O)[C@]2(C)CC[C@@H](c3ccc(C(=O)N4CCCN(C)CC4)cc3Cl)[C@H](c3ccc(Cl)cc3)[C@H]12
• InChI: InChI=1S/C31H33Cl2N3O2.C30H37Cl2N3O2.C30H36Cl2N2O2.C29H35Cl2N3O2.C29H34Cl2N2O2.C28H32Cl2N2O2/c1-4-36(18-20-12-15-34-16-13-20)29(37)22-7-10-24(26(33)17-22)25-11-14-31(3)28(19(2)35-30(31)38)27(25)21-5-8-23(32)9-6-21;1-18-27-26(19-5-8-21(31)9-6-19)24(11-14-30(27,2)29(37)33-18)23-10-7-20(17-25(23)32)28(36)35(4)22-12-15-34(3)16-13-22;1-19-27-26(20-8-11-22(31)12-9-20)24(14-15-30(27,2)29(36)33-19)23-13-10-21(18-25(23)32)28(35)34-16-6-4-3-5-7-17-34;1-18-26-25(19-5-8-21(30)9-6-19)23(11-12-29(26,2)28(36)32-18)22-10-7-20(17-24(22)31)27(35)34-14-4-13-33(3)15-16-34;1-17-6-4-5-15-33(17)27(34)20-9-12-22(24(31)16-20)23-13-14-29(3)26(18(2)32-28(29)35)25(23)19-7-10-21(30)11-8-19;1-16-5-4-14-32(16)26(33)19-8-11-21(23(30)15-19)22-12-13-28(3)25(17(2)31-27(28)34)24(22)18-6-9-20(29)10-7-18/h5-10,12-13,15-17,19,25,27-28H,4,11,14,18H2,1-3H3,(H,35,38);5-10,17-18,22,24,26-27H,11-16H2,1-4H3,(H,33,37);8-13,18-19,24,26-27H,3-7,14-17H2,1-2H3,(H,33,36);5-10,17-18,23,25-26H,4,11-16H2,1-3H3,(H,32,36);7-12,16-18,23,25-26H,4-6,13-15H2,1-3H3,(H,32,35);6-11,15-17,22,24-25H,4-5,12-14H2,1-3H3,(H,31,34)/t19-,25+,27+,28+,31-;18-,24+,26+,27+,30-;19-,24+,26+,27+,30-;18-,23+,25+,26+,29-;17?,18-,23+,25+,26+,29-;16?,17-,22+,24+,25+,28-/m111111/s1
• InChIKey: WDKNYYZIMKJIPF-HHIHDWGVSA-N
• XLogP: 38.82
• TPSA: 315.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3162.13
LogP ≤ 5	38.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (3R,3aS,4S,5R,7aR)-5-[4-(azocane-1-carbonyl)-2-chlorophenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?

The IUPAC name of (3R,3aS,4S,5R,7aR)-5-[4-(azocane-1-carbonyl)-2-chlorophenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 161473649) is (3R,3aS,4S,5R,7aR)-5-[4-(azocane-1-carbonyl)-2-chlorophenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.

What is the SMILES notation for (3R,3aS,4S,5R,7aR)-5-[4-(azocane-1-carbonyl)-2-chlorophenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?

The canonical SMILES for (3R,3aS,4S,5R,7aR)-5-[4-(azocane-1-carbonyl)-2-chlorophenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is CC1CCCCN1C(=O)c1ccc([C@@H]2CC[C@@]3(C)C(=O)N[C@H](C)[C@H]3[C@H]2c2ccc(Cl)cc2)c(Cl)c1.CC1CCCN1C(=O)c1ccc([C@@H]2CC[C@@]3(C)C(=O)N[C@H](C)[C@H]3[C@H]2c2ccc(Cl)cc2)c(Cl)c1.CCN(Cc1ccncc1)C(=O)c1ccc([C@@H]2CC[C@@]3(C)C(=O)N[C@H](C)[C@H]3[C@H]2c2ccc(Cl)cc2)c(Cl)c1.C[C@H]1NC(=O)[C@]2(C)CC[C@@H](c3ccc(C(=O)N(C)C4CCN(C)CC4)cc3Cl)[C@H](c3ccc(Cl)cc3)[C@H]12.C[C@H]1NC(=O)[C@]2(C)CC[C@@H](c3ccc(C(=O)N4CCCCCCC4)cc3Cl)[C@H](c3ccc(Cl)cc3)[C@H]12.C[C@H]1NC(=O)[C@]2(C)CC[C@@H](c3ccc(C(=O)N4CCCN(C)CC4)cc3Cl)[C@H](c3ccc(Cl)cc3)[C@H]12.

What is the InChIKey of (3R,3aS,4S,5R,7aR)-5-[4-(azocane-1-carbonyl)-2-chlorophenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?

The InChIKey is WDKNYYZIMKJIPF-HHIHDWGVSA-N. The full InChI is InChI=1S/C31H33Cl2N3O2.C30H37Cl2N3O2.C30H36Cl2N2O2.C29H35Cl2N3O2.C29H34Cl2N2O2.C28H32Cl2N2O2/c1-4-36(18-20-12-15-34-16-13-20)29(37)22-7-10-24(26(33)17-22)25-11-14-31(3)28(19(2)35-30(31)38)27(25)21-5-8-23(32)9-6-21;1-18-27-26(19-5-8-21(31)9-6-19)24(11-14-30(27,2)29(37)33-18)23-10-7-20(17-25(23)32)28(36)35(4)22-12-15-34(3)16-13-22;1-19-27-26(20-8-11-22(31)12-9-20)24(14-15-30(27,2)29(36)33-19)23-13-10-21(18-25(23)32)28(35)34-16-6-4-3-5-7-17-34;1-18-26-25(19-5-8-21(30)9-6-19)23(11-12-29(26,2)28(36)32-18)22-10-7-20(17-24(22)31)27(35)34-14-4-13-33(3)15-16-34;1-17-6-4-5-15-33(17)27(34)20-9-12-22(24(31)16-20)23-13-14-29(3)26(18(2)32-28(29)35)25(23)19-7-10-21(30)11-8-19;1-16-5-4-14-32(16)26(33)19-8-11-21(23(30)15-19)22-12-13-28(3)25(17(2)31-27(28)34)24(22)18-6-9-20(29)10-7-18/h5-10,12-13,15-17,19,25,27-28H,4,11,14,18H2,1-3H3,(H,35,38);5-10,17-18,22,24,26-27H,11-16H2,1-4H3,(H,33,37);8-13,18-19,24,26-27H,3-7,14-17H2,1-2H3,(H,33,36);5-10,17-18,23,25-26H,4,11-16H2,1-3H3,(H,32,36);7-12,16-18,23,25-26H,4-6,13-15H2,1-3H3,(H,32,35);6-11,15-17,22,24-25H,4-5,12-14H2,1-3H3,(H,31,34)/t19-,25+,27+,28+,31-;18-,24+,26+,27+,30-;19-,24+,26+,27+,30-;18-,23+,25+,26+,29-;17?,18-,23+,25+,26+,29-;16?,17-,22+,24+,25+,28-/m111111/s1.

What are the key properties of (3R,3aS,4S,5R,7aR)-5-[4-(azocane-1-carbonyl)-2-chlorophenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?

(3R,3aS,4S,5R,7aR)-5-[4-(azocane-1-carbonyl)-2-chlorophenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 3162.13 g/mol, XLogP of 38.82, 22 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,3aS,4S,5R,7aR)-5-[4-(azocane-1-carbonyl)-2-chlorophenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 161473649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).