[4-fluoro-1-(3-fluorobenzoyl)-5-hydroxy-2,6-dimethylindol-3-yl] acetate

C19H15F2NO4 — CID 69485092

IUPAC[4-fluoro-1-(3-fluorobenzoyl)-5-hydroxy-2,6-dimethylindol-3-yl] acetate
SMILESCC(=O)Oc1c(C)n(C(=O)c2cccc(F)c2)c2cc(C)c(O)c(F)c12
InChIInChI=1S/C19H15F2NO4/c1-9-7-14-15(16(21)17(9)24)18(26-11(3)23)10(2)22(14)19(25)12-5-4-6-13(20)8-12/h4-8,24H,1-3H3
InChIKeyNKRMSIKTPZYFEH-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.86
Rot. Bonds2

About [4-fluoro-1-(3-fluorobenzoyl)-5-hydroxy-2,6-dimethylindol-3-yl] acetate

[4-fluoro-1-(3-fluorobenzoyl)-5-hydroxy-2,6-dimethylindol-3-yl] acetate (PubChem CID 69485092) has the molecular formula C19H15F2NO4 and a molecular weight of 359.33 g/mol. Its IUPAC name is [4-fluoro-1-(3-fluorobenzoyl)-5-hydroxy-2,6-dimethylindol-3-yl] acetate.

Molecular Properties

Compound Name[4-fluoro-1-(3-fluorobenzoyl)-5-hydroxy-2,6-dimethylindol-3-yl] acetate
PubChem CID69485092
Molecular FormulaC19H15F2NO4
Molecular Weight359.33 g/mol
Exact Mass359.10
IUPAC Name[4-fluoro-1-(3-fluorobenzoyl)-5-hydroxy-2,6-dimethylindol-3-yl] acetate
SMILESCC(=O)Oc1c(C)n(C(=O)c2cccc(F)c2)c2cc(C)c(O)c(F)c12
InChIInChI=1S/C19H15F2NO4/c1-9-7-14-15(16(21)17(9)24)18(26-11(3)23)10(2)22(14)19(25)12-5-4-6-13(20)8-12/h4-8,24H,1-3H3
InChIKeyNKRMSIKTPZYFEH-UHFFFAOYSA-N
XLogP3.86
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-1-(3-fluorobenzoyl)-5-hydroxy-2,6-dimethylindol-3-yl] acetate?
The IUPAC name of [4-fluoro-1-(3-fluorobenzoyl)-5-hydroxy-2,6-dimethylindol-3-yl] acetate (CID 69485092) is [4-fluoro-1-(3-fluorobenzoyl)-5-hydroxy-2,6-dimethylindol-3-yl] acetate.
What is the SMILES notation for [4-fluoro-1-(3-fluorobenzoyl)-5-hydroxy-2,6-dimethylindol-3-yl] acetate?
The canonical SMILES for [4-fluoro-1-(3-fluorobenzoyl)-5-hydroxy-2,6-dimethylindol-3-yl] acetate is CC(=O)Oc1c(C)n(C(=O)c2cccc(F)c2)c2cc(C)c(O)c(F)c12.
What is the InChIKey of [4-fluoro-1-(3-fluorobenzoyl)-5-hydroxy-2,6-dimethylindol-3-yl] acetate?
The InChIKey is NKRMSIKTPZYFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO4/c1-9-7-14-15(16(21)17(9)24)18(26-11(3)23)10(2)22(14)19(25)12-5-4-6-13(20)8-12/h4-8,24H,1-3H3.
What are the key properties of [4-fluoro-1-(3-fluorobenzoyl)-5-hydroxy-2,6-dimethylindol-3-yl] acetate?
[4-fluoro-1-(3-fluorobenzoyl)-5-hydroxy-2,6-dimethylindol-3-yl] acetate has a molecular weight of 359.33 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-1-(3-fluorobenzoyl)-5-hydroxy-2,6-dimethylindol-3-yl] acetate is sourced from PubChem (CID 69485092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).