[1-(3,4-difluorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate

C20H17F2NO4 — CID 69485127

IUPAC[1-(3,4-difluorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate
SMILESCCc1c(O)ccc2c1c(OC(C)=O)c(C)n2C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C20H17F2NO4/c1-4-13-17(25)8-7-16-18(13)19(27-11(3)24)10(2)23(16)20(26)12-5-6-14(21)15(22)9-12/h5-9,25H,4H2,1-3H3
InChIKeyKUVWXOHCWDYBCP-UHFFFAOYSA-N
MW373.36 g/mol
LogP4.11
Rot. Bonds3

About [1-(3,4-difluorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate

[1-(3,4-difluorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate (PubChem CID 69485127) has the molecular formula C20H17F2NO4 and a molecular weight of 373.36 g/mol. Its IUPAC name is [1-(3,4-difluorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate.

Molecular Properties

Compound Name[1-(3,4-difluorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate
PubChem CID69485127
Molecular FormulaC20H17F2NO4
Molecular Weight373.36 g/mol
Exact Mass373.11
IUPAC Name[1-(3,4-difluorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate
SMILESCCc1c(O)ccc2c1c(OC(C)=O)c(C)n2C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C20H17F2NO4/c1-4-13-17(25)8-7-16-18(13)19(27-11(3)24)10(2)23(16)20(26)12-5-6-14(21)15(22)9-12/h5-9,25H,4H2,1-3H3
InChIKeyKUVWXOHCWDYBCP-UHFFFAOYSA-N
XLogP4.11
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3,4-difluorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate?
The IUPAC name of [1-(3,4-difluorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate (CID 69485127) is [1-(3,4-difluorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate.
What is the SMILES notation for [1-(3,4-difluorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate?
The canonical SMILES for [1-(3,4-difluorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate is CCc1c(O)ccc2c1c(OC(C)=O)c(C)n2C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of [1-(3,4-difluorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate?
The InChIKey is KUVWXOHCWDYBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO4/c1-4-13-17(25)8-7-16-18(13)19(27-11(3)24)10(2)23(16)20(26)12-5-6-14(21)15(22)9-12/h5-9,25H,4H2,1-3H3.
What are the key properties of [1-(3,4-difluorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate?
[1-(3,4-difluorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate has a molecular weight of 373.36 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-difluorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate is sourced from PubChem (CID 69485127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).