2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]butanoic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]pentanoic acid

C65H55F12N3O15 — CID 87895125

IUPAC2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]butanoic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]pentanoic acid
SMILESCCC(C(=O)O)c1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(F)c(OC)cc12.CCCC(C(=O)O)c1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(F)c(OC)cc12.COc1cc2c(CC(=O)O)c(C)n(C(=O)c3ccc(OC(F)(F)F)cc3)c2cc1F
InChIInChI=1S/C23H21F4NO5.C22H19F4NO5.C20H15F4NO5/c1-4-5-15(22(30)31)20-12(2)28(18-11-17(24)19(32-3)10-16(18)20)21(29)13-6-8-14(9-7-13)33-23(25,26)27;1-4-14(21(29)30)19-11(2)27(17-10-16(23)18(31-3)9-15(17)19)20(28)12-5-7-13(8-6-12)32-22(24,25)26;1-10-13(8-18(26)27)14-7-17(29-2)15(21)9-16(14)25(10)19(28)11-3-5-12(6-4-11)30-20(22,23)24/h6-11,15H,4-5H2,1-3H3,(H,30,31);5-10,14H,4H2,1-3H3,(H,29,30);3-7,9H,8H2,1-2H3,(H,26,27)
InChIKeyJTKHQVKNAKUIEG-UHFFFAOYSA-N
MW1346.14 g/mol
LogP15.23
Rot. Bonds18

About 2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]butanoic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]pentanoic acid

2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]butanoic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]pentanoic acid (PubChem CID 87895125) has the molecular formula C65H55F12N3O15 and a molecular weight of 1346.14 g/mol. Its IUPAC name is 2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]butanoic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]pentanoic acid.

Molecular Properties

Compound Name2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]butanoic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]pentanoic acid
PubChem CID87895125
Molecular FormulaC65H55F12N3O15
Molecular Weight1346.14 g/mol
Exact Mass1345.34
IUPAC Name2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]butanoic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]pentanoic acid
SMILESCCC(C(=O)O)c1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(F)c(OC)cc12.CCCC(C(=O)O)c1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(F)c(OC)cc12.COc1cc2c(CC(=O)O)c(C)n(C(=O)c3ccc(OC(F)(F)F)cc3)c2cc1F
InChIInChI=1S/C23H21F4NO5.C22H19F4NO5.C20H15F4NO5/c1-4-5-15(22(30)31)20-12(2)28(18-11-17(24)19(32-3)10-16(18)20)21(29)13-6-8-14(9-7-13)33-23(25,26)27;1-4-14(21(29)30)19-11(2)27(17-10-16(23)18(31-3)9-15(17)19)20(28)12-5-7-13(8-6-12)32-22(24,25)26;1-10-13(8-18(26)27)14-7-17(29-2)15(21)9-16(14)25(10)19(28)11-3-5-12(6-4-11)30-20(22,23)24/h6-11,15H,4-5H2,1-3H3,(H,30,31);5-10,14H,4H2,1-3H3,(H,29,30);3-7,9H,8H2,1-2H3,(H,26,27)
InChIKeyJTKHQVKNAKUIEG-UHFFFAOYSA-N
XLogP15.23
TPSA233.28 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001346.14
LogP ≤ 515.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]butanoic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]pentanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]butanoic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]pentanoic acid?
The IUPAC name of 2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]butanoic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]pentanoic acid (CID 87895125) is 2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]butanoic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]pentanoic acid.
What is the SMILES notation for 2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]butanoic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]pentanoic acid?
The canonical SMILES for 2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]butanoic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]pentanoic acid is CCC(C(=O)O)c1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(F)c(OC)cc12.CCCC(C(=O)O)c1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(F)c(OC)cc12.COc1cc2c(CC(=O)O)c(C)n(C(=O)c3ccc(OC(F)(F)F)cc3)c2cc1F.
What is the InChIKey of 2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]butanoic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]pentanoic acid?
The InChIKey is JTKHQVKNAKUIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F4NO5.C22H19F4NO5.C20H15F4NO5/c1-4-5-15(22(30)31)20-12(2)28(18-11-17(24)19(32-3)10-16(18)20)21(29)13-6-8-14(9-7-13)33-23(25,26)27;1-4-14(21(29)30)19-11(2)27(17-10-16(23)18(31-3)9-15(17)19)20(28)12-5-7-13(8-6-12)32-22(24,25)26;1-10-13(8-18(26)27)14-7-17(29-2)15(21)9-16(14)25(10)19(28)11-3-5-12(6-4-11)30-20(22,23)24/h6-11,15H,4-5H2,1-3H3,(H,30,31);5-10,14H,4H2,1-3H3,(H,29,30);3-7,9H,8H2,1-2H3,(H,26,27).
What are the key properties of 2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]butanoic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]pentanoic acid?
2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]butanoic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]pentanoic acid has a molecular weight of 1346.14 g/mol, XLogP of 15.23, 18 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]butanoic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]pentanoic acid is sourced from PubChem (CID 87895125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).