2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetaldehyde;2-[1-(4-chlorobenzoyl)-5-methoxy-2-(trifluoromethyl)indol-3-yl]acetaldehyde;(4-chlorophenyl)-(2,5-dimethyl-3-propylindol-1-yl)methanone;(4-chlorophenyl)-(3-ethyl-2,5-dimethylindol-1-yl)methanone

C95H81Cl5F3N5O12 — CID 158797493

About 2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetaldehyde;2-[1-(4-chlorobenzoyl)-5-methoxy-2-(trifluoromethyl)indol-3-yl]acetaldehyde;(4-chlorophenyl)-(2,5-dimethyl-3-propylindol-1-yl)methanone;(4-chlorophenyl)-(3-ethyl-2,5-dimethylindol-1-yl)methanone

2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetaldehyde;2-[1-(4-chlorobenzoyl)-5-methoxy-2-(trifluoromethyl)indol-3-yl]acetaldehyde;(4-chlorophenyl)-(2,5-dimethyl-3-propylindol-1-yl)methanone;(4-chlorophenyl)-(3-ethyl-2,5-dimethylindol-1-yl)methanone (PubChem CID 158797493) has the molecular formula C95H81Cl5F3N5O12 and a molecular weight of 1718.97 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetaldehyde;2-[1-(4-chlorobenzoyl)-5-methoxy-2-(trifluoromethyl)indol-3-yl]acetaldehyde;(4-chlorophenyl)-(2,5-dimethyl-3-propylindol-1-yl)methanone;(4-chlorophenyl)-(3-ethyl-2,5-dimethylindol-1-yl)methanone.

Molecular Properties

• Compound Name: 2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetaldehyde;2-[1-(4-chlorobenzoyl)-5-methoxy-2-(trifluoromethyl)indol-3-yl]acetaldehyde;(4-chlorophenyl)-(2,5-dimethyl-3-propylindol-1-yl)methanone;(4-chlorophenyl)-(3-ethyl-2,5-dimethylindol-1-yl)methanone
• PubChem CID: 158797493
• Molecular Formula: C95H81Cl5F3N5O12
• Molecular Weight: 1718.97 g/mol
• Exact Mass: 1715.43
• IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetaldehyde;2-[1-(4-chlorobenzoyl)-5-methoxy-2-(trifluoromethyl)indol-3-yl]acetaldehyde;(4-chlorophenyl)-(2,5-dimethyl-3-propylindol-1-yl)methanone;(4-chlorophenyl)-(3-ethyl-2,5-dimethylindol-1-yl)methanone
• SMILES: CCCc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(C)cc12.CCc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(C)cc12.COc1ccc2c(c1)c(CC=O)c(C(F)(F)F)n2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(CC=O)c(C)n2C(=O)c1ccc(Cl)cc1.Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C20H20ClNO.C19H13ClF3NO3.C19H16ClNO3.C19H18ClNO.C18H14ClNO4/c1-4-5-17-14(3)22(19-11-6-13(2)12-18(17)19)20(23)15-7-9-16(21)10-8-15;1-27-13-6-7-16-15(10-13)14(8-9-25)17(19(21,22)23)24(16)18(26)11-2-4-12(20)5-3-11;1-12-16(9-10-22)17-11-15(24-2)7-8-18(17)21(12)19(23)13-3-5-14(20)6-4-13;1-4-16-13(3)21(18-10-5-12(2)11-17(16)18)19(22)14-6-8-15(20)9-7-14;1-10-14(9-17(22)23)15-8-13(21)6-7-16(15)20(10)18(24)11-2-4-12(19)5-3-11/h6-12H,4-5H2,1-3H3;2-7,9-10H,8H2,1H3;3-8,10-11H,9H2,1-2H3;5-11H,4H2,1-3H3;2-8,21H,9H2,1H3,(H,22,23)
• InChIKey: ITASZWVSQYVLQB-UHFFFAOYSA-N
• XLogP: 23.13
• TPSA: 220.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1718.97
LogP ≤ 5	23.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetaldehyde;2-[1-(4-chlorobenzoyl)-5-methoxy-2-(trifluoromethyl)indol-3-yl]acetaldehyde;(4-chlorophenyl)-(2,5-dimethyl-3-propylindol-1-yl)methanone;(4-chlorophenyl)-(3-ethyl-2,5-dimethylindol-1-yl)methanone?

The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetaldehyde;2-[1-(4-chlorobenzoyl)-5-methoxy-2-(trifluoromethyl)indol-3-yl]acetaldehyde;(4-chlorophenyl)-(2,5-dimethyl-3-propylindol-1-yl)methanone;(4-chlorophenyl)-(3-ethyl-2,5-dimethylindol-1-yl)methanone (CID 158797493) is 2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetaldehyde;2-[1-(4-chlorobenzoyl)-5-methoxy-2-(trifluoromethyl)indol-3-yl]acetaldehyde;(4-chlorophenyl)-(2,5-dimethyl-3-propylindol-1-yl)methanone;(4-chlorophenyl)-(3-ethyl-2,5-dimethylindol-1-yl)methanone.

What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetaldehyde;2-[1-(4-chlorobenzoyl)-5-methoxy-2-(trifluoromethyl)indol-3-yl]acetaldehyde;(4-chlorophenyl)-(2,5-dimethyl-3-propylindol-1-yl)methanone;(4-chlorophenyl)-(3-ethyl-2,5-dimethylindol-1-yl)methanone?

The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetaldehyde;2-[1-(4-chlorobenzoyl)-5-methoxy-2-(trifluoromethyl)indol-3-yl]acetaldehyde;(4-chlorophenyl)-(2,5-dimethyl-3-propylindol-1-yl)methanone;(4-chlorophenyl)-(3-ethyl-2,5-dimethylindol-1-yl)methanone is CCCc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(C)cc12.CCc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(C)cc12.COc1ccc2c(c1)c(CC=O)c(C(F)(F)F)n2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(CC=O)c(C)n2C(=O)c1ccc(Cl)cc1.Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(Cl)cc1.

What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetaldehyde;2-[1-(4-chlorobenzoyl)-5-methoxy-2-(trifluoromethyl)indol-3-yl]acetaldehyde;(4-chlorophenyl)-(2,5-dimethyl-3-propylindol-1-yl)methanone;(4-chlorophenyl)-(3-ethyl-2,5-dimethylindol-1-yl)methanone?

The InChIKey is ITASZWVSQYVLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO.C19H13ClF3NO3.C19H16ClNO3.C19H18ClNO.C18H14ClNO4/c1-4-5-17-14(3)22(19-11-6-13(2)12-18(17)19)20(23)15-7-9-16(21)10-8-15;1-27-13-6-7-16-15(10-13)14(8-9-25)17(19(21,22)23)24(16)18(26)11-2-4-12(20)5-3-11;1-12-16(9-10-22)17-11-15(24-2)7-8-18(17)21(12)19(23)13-3-5-14(20)6-4-13;1-4-16-13(3)21(18-10-5-12(2)11-17(16)18)19(22)14-6-8-15(20)9-7-14;1-10-14(9-17(22)23)15-8-13(21)6-7-16(15)20(10)18(24)11-2-4-12(19)5-3-11/h6-12H,4-5H2,1-3H3;2-7,9-10H,8H2,1H3;3-8,10-11H,9H2,1-2H3;5-11H,4H2,1-3H3;2-8,21H,9H2,1H3,(H,22,23).

What are the key properties of 2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetaldehyde;2-[1-(4-chlorobenzoyl)-5-methoxy-2-(trifluoromethyl)indol-3-yl]acetaldehyde;(4-chlorophenyl)-(2,5-dimethyl-3-propylindol-1-yl)methanone;(4-chlorophenyl)-(3-ethyl-2,5-dimethylindol-1-yl)methanone?

2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetaldehyde;2-[1-(4-chlorobenzoyl)-5-methoxy-2-(trifluoromethyl)indol-3-yl]acetaldehyde;(4-chlorophenyl)-(2,5-dimethyl-3-propylindol-1-yl)methanone;(4-chlorophenyl)-(3-ethyl-2,5-dimethylindol-1-yl)methanone has a molecular weight of 1718.97 g/mol, XLogP of 23.13, 16 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetaldehyde;2-[1-(4-chlorobenzoyl)-5-methoxy-2-(trifluoromethyl)indol-3-yl]acetaldehyde;(4-chlorophenyl)-(2,5-dimethyl-3-propylindol-1-yl)methanone;(4-chlorophenyl)-(3-ethyl-2,5-dimethylindol-1-yl)methanone is sourced from PubChem (CID 158797493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).