bis(carbon dioxide);2-[4-[[5-[[(1S)-1-(4-chloro-3-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1R)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid

C207H192Cl2F4N12O20 — CID 158796973

About bis(carbon dioxide);2-[4-[[5-[[(1S)-1-(4-chloro-3-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1R)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid

bis(carbon dioxide);2-[4-[[5-[[(1S)-1-(4-chloro-3-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1R)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid (PubChem CID 158796973) has the molecular formula C207H192Cl2F4N12O20 and a molecular weight of 3314.77 g/mol. Its IUPAC name is bis(carbon dioxide);2-[4-[[5-[[(1S)-1-(4-chloro-3-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1R)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid.

Molecular Properties

• Compound Name: bis(carbon dioxide);2-[4-[[5-[[(1S)-1-(4-chloro-3-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1R)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
• PubChem CID: 158796973
• Molecular Formula: C207H192Cl2F4N12O20
• Molecular Weight: 3314.77 g/mol
• Exact Mass: 3311.37
• IUPAC Name: bis(carbon dioxide);2-[4-[[5-[[(1S)-1-(4-chloro-3-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1R)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
• SMILES: CCc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)O)cc2)cc1.COc1cc(C)ccc1[C@@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1.COc1cc(C)ccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3C(F)(F)F)cc12.Cc1cc(Cl)ccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2)cc1.Cc1cc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)O)cc2)ccc1Cl.O=C=O.O=C=O
• InChI: InChI=1S/2C35H34N2O4.C35H34N2O3.C34H31ClN2O3.C33H31ClN2O.C33H28F4N2O.2CO2/c2*1-21-10-16-28(33(18-21)41-5)23(3)36-34(38)27-15-17-32-31(19-27)22(2)24(4)37(32)20-25-11-13-26(14-12-25)29-8-6-7-9-30(29)35(39)40;1-5-25-10-14-27(15-11-25)23(3)36-34(38)29-18-19-33-32(20-29)22(2)24(4)37(33)21-26-12-16-28(17-13-26)30-8-6-7-9-31(30)35(39)40;1-20-17-26(13-15-31(20)35)22(3)36-33(38)27-14-16-32-30(18-27)21(2)23(4)37(32)19-24-9-11-25(12-10-24)28-7-5-6-8-29(28)34(39)40;1-21-18-29(34)15-16-30(21)23(3)35-33(37)28-14-17-32-31(19-28)22(2)24(4)36(32)20-25-10-12-27(13-11-25)26-8-6-5-7-9-26;1-20-22(3)39(19-23-9-11-25(12-10-23)24-7-5-4-6-8-24)31-16-13-26(17-29(20)31)32(40)38-21(2)28-15-14-27(34)18-30(28)33(35,36)37;2*2-1-3/h2*6-19,23H,20H2,1-5H3,(H,36,38)(H,39,40);6-20,23H,5,21H2,1-4H3,(H,36,38)(H,39,40);5-18,22H,19H2,1-4H3,(H,36,38)(H,39,40);5-19,23H,20H2,1-4H3,(H,35,37);4-18,21H,19H2,1-3H3,(H,38,40);;/t3*23-;22-;23-;21-;;/m100000../s1
• InChIKey: ISZDYNQSXYHSIR-KWDDNKJFSA-N
• XLogP: 46.69
• TPSA: 440.12 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 43
• Heavy Atoms: 245
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3314.77
LogP ≤ 5	46.69
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);2-[4-[[5-[[(1S)-1-(4-chloro-3-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1R)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid?

The IUPAC name of bis(carbon dioxide);2-[4-[[5-[[(1S)-1-(4-chloro-3-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1R)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid (CID 158796973) is bis(carbon dioxide);2-[4-[[5-[[(1S)-1-(4-chloro-3-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1R)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid.

What is the SMILES notation for bis(carbon dioxide);2-[4-[[5-[[(1S)-1-(4-chloro-3-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1R)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid?

The canonical SMILES for bis(carbon dioxide);2-[4-[[5-[[(1S)-1-(4-chloro-3-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1R)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid is CCc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)O)cc2)cc1.COc1cc(C)ccc1[C@@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1.COc1cc(C)ccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3C(F)(F)F)cc12.Cc1cc(Cl)ccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2)cc1.Cc1cc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)O)cc2)ccc1Cl.O=C=O.O=C=O.

What is the InChIKey of bis(carbon dioxide);2-[4-[[5-[[(1S)-1-(4-chloro-3-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1R)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid?

The InChIKey is ISZDYNQSXYHSIR-KWDDNKJFSA-N. The full InChI is InChI=1S/2C35H34N2O4.C35H34N2O3.C34H31ClN2O3.C33H31ClN2O.C33H28F4N2O.2CO2/c2*1-21-10-16-28(33(18-21)41-5)23(3)36-34(38)27-15-17-32-31(19-27)22(2)24(4)37(32)20-25-11-13-26(14-12-25)29-8-6-7-9-30(29)35(39)40;1-5-25-10-14-27(15-11-25)23(3)36-34(38)29-18-19-33-32(20-29)22(2)24(4)37(33)21-26-12-16-28(17-13-26)30-8-6-7-9-31(30)35(39)40;1-20-17-26(13-15-31(20)35)22(3)36-33(38)27-14-16-32-30(18-27)21(2)23(4)37(32)19-24-9-11-25(12-10-24)28-7-5-6-8-29(28)34(39)40;1-21-18-29(34)15-16-30(21)23(3)35-33(37)28-14-17-32-31(19-28)22(2)24(4)36(32)20-25-10-12-27(13-11-25)26-8-6-5-7-9-26;1-20-22(3)39(19-23-9-11-25(12-10-23)24-7-5-4-6-8-24)31-16-13-26(17-29(20)31)32(40)38-21(2)28-15-14-27(34)18-30(28)33(35,36)37;2*2-1-3/h2*6-19,23H,20H2,1-5H3,(H,36,38)(H,39,40);6-20,23H,5,21H2,1-4H3,(H,36,38)(H,39,40);5-18,22H,19H2,1-4H3,(H,36,38)(H,39,40);5-19,23H,20H2,1-4H3,(H,35,37);4-18,21H,19H2,1-3H3,(H,38,40);;/t3*23-;22-;23-;21-;;/m100000../s1.

What are the key properties of bis(carbon dioxide);2-[4-[[5-[[(1S)-1-(4-chloro-3-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1R)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid?

bis(carbon dioxide);2-[4-[[5-[[(1S)-1-(4-chloro-3-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1R)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid has a molecular weight of 3314.77 g/mol, XLogP of 46.69, 43 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(carbon dioxide);2-[4-[[5-[[(1S)-1-(4-chloro-3-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1R)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid is sourced from PubChem (CID 158796973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).