2-[6-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid

C79H65Cl5F8N4O16 — CID 158875461

IUPAC2-[6-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid
SMILESCOc1cc2c(CC(=O)O)c(C)n(C(=O)c3ccc(Cl)cc3)c2cc1Cl.COc1cc2c(CC(=O)O)c(C)n(C(=O)c3ccc(OC(F)F)cc3)c2cc1Cl.COc1cc2c(CC(=O)O)c(C)n(Cc3cccc(C(F)(F)F)c3)c2cc1Cl.COc1cc2c(CC(=O)O)c(C)n(Cc3cccc(OC(F)(F)F)c3)c2cc1Cl
InChIInChI=1S/C20H17ClF3NO4.C20H17ClF3NO3.C20H16ClF2NO5.C19H15Cl2NO4/c1-11-14(8-19(26)27)15-7-18(28-2)16(21)9-17(15)25(11)10-12-4-3-5-13(6-12)29-20(22,23)24;1-11-14(8-19(26)27)15-7-18(28-2)16(21)9-17(15)25(11)10-12-4-3-5-13(6-12)20(22,23)24;1-10-13(8-18(25)26)14-7-17(28-2)15(21)9-16(14)24(10)19(27)11-3-5-12(6-4-11)29-20(22)23;1-10-13(8-18(23)24)14-7-17(26-2)15(21)9-16(14)22(10)19(25)11-3-5-12(20)6-4-11/h3-7,9H,8,10H2,1-2H3,(H,26,27);3-7,9H,8,10H2,1-2H3,(H,26,27);3-7,9,20H,8H2,1-2H3,(H,25,26);3-7,9H,8H2,1-2H3,(H,23,24)
InChIKeyJCJJRZYIDOQWQJ-UHFFFAOYSA-N
MW1655.65 g/mol
LogP19.60
Rot. Bonds21

About 2-[6-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid

2-[6-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid (PubChem CID 158875461) has the molecular formula C79H65Cl5F8N4O16 and a molecular weight of 1655.65 g/mol. Its IUPAC name is 2-[6-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid
PubChem CID158875461
Molecular FormulaC79H65Cl5F8N4O16
Molecular Weight1655.65 g/mol
Exact Mass1652.27
IUPAC Name2-[6-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid
SMILESCOc1cc2c(CC(=O)O)c(C)n(C(=O)c3ccc(Cl)cc3)c2cc1Cl.COc1cc2c(CC(=O)O)c(C)n(C(=O)c3ccc(OC(F)F)cc3)c2cc1Cl.COc1cc2c(CC(=O)O)c(C)n(Cc3cccc(C(F)(F)F)c3)c2cc1Cl.COc1cc2c(CC(=O)O)c(C)n(Cc3cccc(OC(F)(F)F)c3)c2cc1Cl
InChIInChI=1S/C20H17ClF3NO4.C20H17ClF3NO3.C20H16ClF2NO5.C19H15Cl2NO4/c1-11-14(8-19(26)27)15-7-18(28-2)16(21)9-17(15)25(11)10-12-4-3-5-13(6-12)29-20(22,23)24;1-11-14(8-19(26)27)15-7-18(28-2)16(21)9-17(15)25(11)10-12-4-3-5-13(6-12)20(22,23)24;1-10-13(8-18(25)26)14-7-17(28-2)15(21)9-16(14)24(10)19(27)11-3-5-12(6-4-11)29-20(22)23;1-10-13(8-18(23)24)14-7-17(26-2)15(21)9-16(14)22(10)19(25)11-3-5-12(20)6-4-11/h3-7,9H,8,10H2,1-2H3,(H,26,27);3-7,9H,8,10H2,1-2H3,(H,26,27);3-7,9,20H,8H2,1-2H3,(H,25,26);3-7,9H,8H2,1-2H3,(H,23,24)
InChIKeyJCJJRZYIDOQWQJ-UHFFFAOYSA-N
XLogP19.60
TPSA258.44 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001655.65
LogP ≤ 519.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-[6-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid with MolForge

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Related Compounds

1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 1,4-piperazinediyldi-2,1-ethanediyl ester, (Z)-2-butenedioate (1:2)
CID 6449380
Cupric(indomethacinate)4complex
CID 11979746
2,3-Bis[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxy]propyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 16160784
alpha-Indomethacin
CID 139120178
2-[6-chloro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic Acid
CID 11224105
2-[6-Chloro-1-[4-(difluoromethoxy)benzoyl]-5-hydroxy-2-methylindol-3-yl]acetic acid
CID 18453577
2-[6-Chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid
CID 18453578
2-[6-Chloro-5-methoxy-2-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)benzoyl]indol-3-yl]acetic acid
CID 18453815
2-[6-Chloro-5-methoxy-2-methyl-1-[4-(1,1,2,2,2-pentafluoroethoxy)benzoyl]indol-3-yl]acetic acid
CID 18453821
2-[6-Chloro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid
CID 18453825
Ethyl 2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetate
CID 60042457
3-[[2-[6-Chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetyl]amino]-2-methylpropanoic acid
CID 69485591

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid?
The IUPAC name of 2-[6-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid (CID 158875461) is 2-[6-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid?
The canonical SMILES for 2-[6-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid is COc1cc2c(CC(=O)O)c(C)n(C(=O)c3ccc(Cl)cc3)c2cc1Cl.COc1cc2c(CC(=O)O)c(C)n(C(=O)c3ccc(OC(F)F)cc3)c2cc1Cl.COc1cc2c(CC(=O)O)c(C)n(Cc3cccc(C(F)(F)F)c3)c2cc1Cl.COc1cc2c(CC(=O)O)c(C)n(Cc3cccc(OC(F)(F)F)c3)c2cc1Cl.
What is the InChIKey of 2-[6-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid?
The InChIKey is JCJJRZYIDOQWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3NO4.C20H17ClF3NO3.C20H16ClF2NO5.C19H15Cl2NO4/c1-11-14(8-19(26)27)15-7-18(28-2)16(21)9-17(15)25(11)10-12-4-3-5-13(6-12)29-20(22,23)24;1-11-14(8-19(26)27)15-7-18(28-2)16(21)9-17(15)25(11)10-12-4-3-5-13(6-12)20(22,23)24;1-10-13(8-18(25)26)14-7-17(28-2)15(21)9-16(14)24(10)19(27)11-3-5-12(6-4-11)29-20(22)23;1-10-13(8-18(23)24)14-7-17(26-2)15(21)9-16(14)22(10)19(25)11-3-5-12(20)6-4-11/h3-7,9H,8,10H2,1-2H3,(H,26,27);3-7,9H,8,10H2,1-2H3,(H,26,27);3-7,9,20H,8H2,1-2H3,(H,25,26);3-7,9H,8H2,1-2H3,(H,23,24).
What are the key properties of 2-[6-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid?
2-[6-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid has a molecular weight of 1655.65 g/mol, XLogP of 19.60, 21 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid;2-[6-chloro-5-methoxy-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid is sourced from PubChem (CID 158875461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).