2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propylacetamide

C60H54Cl3F3N6O9 — CID 87892530

IUPAC2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1c(C)n(C(=O)c2cccc(Cl)c2)c2ccc(O)c(F)c12.CCNC(=O)Cc1c(C)n(C(=O)c2cccc(Cl)c2)c2ccc(O)c(F)c12.CNC(=O)Cc1c(C)n(C(=O)c2cccc(Cl)c2)c2ccc(O)c(F)c12
InChIInChI=1S/C21H20ClFN2O3.C20H18ClFN2O3.C19H16ClFN2O3/c1-3-9-24-18(27)11-15-12(2)25(16-7-8-17(26)20(23)19(15)16)21(28)13-5-4-6-14(22)10-13;1-3-23-17(26)10-14-11(2)24(15-7-8-16(25)19(22)18(14)15)20(27)12-5-4-6-13(21)9-12;1-10-13(9-16(25)22-2)17-14(6-7-15(24)18(17)21)23(10)19(26)11-4-3-5-12(20)8-11/h4-8,10,26H,3,9,11H2,1-2H3,(H,24,27);4-9,25H,3,10H2,1-2H3,(H,23,26);3-8,24H,9H2,1-2H3,(H,22,25)
InChIKeyZQVBWOQJQBGHGC-UHFFFAOYSA-N
MW1166.48 g/mol
LogP11.44
Rot. Bonds12

About 2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propylacetamide

2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propylacetamide (PubChem CID 87892530) has the molecular formula C60H54Cl3F3N6O9 and a molecular weight of 1166.48 g/mol. Its IUPAC name is 2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propylacetamide
PubChem CID87892530
Molecular FormulaC60H54Cl3F3N6O9
Molecular Weight1166.48 g/mol
Exact Mass1164.30
IUPAC Name2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1c(C)n(C(=O)c2cccc(Cl)c2)c2ccc(O)c(F)c12.CCNC(=O)Cc1c(C)n(C(=O)c2cccc(Cl)c2)c2ccc(O)c(F)c12.CNC(=O)Cc1c(C)n(C(=O)c2cccc(Cl)c2)c2ccc(O)c(F)c12
InChIInChI=1S/C21H20ClFN2O3.C20H18ClFN2O3.C19H16ClFN2O3/c1-3-9-24-18(27)11-15-12(2)25(16-7-8-17(26)20(23)19(15)16)21(28)13-5-4-6-14(22)10-13;1-3-23-17(26)10-14-11(2)24(15-7-8-16(25)19(22)18(14)15)20(27)12-5-4-6-13(21)9-12;1-10-13(9-16(25)22-2)17-14(6-7-15(24)18(17)21)23(10)19(26)11-4-3-5-12(20)8-11/h4-8,10,26H,3,9,11H2,1-2H3,(H,24,27);4-9,25H,3,10H2,1-2H3,(H,23,26);3-8,24H,9H2,1-2H3,(H,22,25)
InChIKeyZQVBWOQJQBGHGC-UHFFFAOYSA-N
XLogP11.44
TPSA213.99 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms81
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001166.48
LogP ≤ 511.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propylacetamide?
The IUPAC name of 2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propylacetamide (CID 87892530) is 2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propylacetamide.
What is the SMILES notation for 2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propylacetamide?
The canonical SMILES for 2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propylacetamide is CCCNC(=O)Cc1c(C)n(C(=O)c2cccc(Cl)c2)c2ccc(O)c(F)c12.CCNC(=O)Cc1c(C)n(C(=O)c2cccc(Cl)c2)c2ccc(O)c(F)c12.CNC(=O)Cc1c(C)n(C(=O)c2cccc(Cl)c2)c2ccc(O)c(F)c12.
What is the InChIKey of 2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propylacetamide?
The InChIKey is ZQVBWOQJQBGHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2O3.C20H18ClFN2O3.C19H16ClFN2O3/c1-3-9-24-18(27)11-15-12(2)25(16-7-8-17(26)20(23)19(15)16)21(28)13-5-4-6-14(22)10-13;1-3-23-17(26)10-14-11(2)24(15-7-8-16(25)19(22)18(14)15)20(27)12-5-4-6-13(21)9-12;1-10-13(9-16(25)22-2)17-14(6-7-15(24)18(17)21)23(10)19(26)11-4-3-5-12(20)8-11/h4-8,10,26H,3,9,11H2,1-2H3,(H,24,27);4-9,25H,3,10H2,1-2H3,(H,23,26);3-8,24H,9H2,1-2H3,(H,22,25).
What are the key properties of 2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propylacetamide?
2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propylacetamide has a molecular weight of 1166.48 g/mol, XLogP of 11.44, 12 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propylacetamide is sourced from PubChem (CID 87892530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).