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

C20H18FNO4 — CID 69485531

IUPAC[4-ethyl-1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate
SMILESCCc1c(O)ccc2c1c(OC(C)=O)c(C)n2C(=O)c1cccc(F)c1
InChIInChI=1S/C20H18FNO4/c1-4-15-17(24)9-8-16-18(15)19(26-12(3)23)11(2)22(16)20(25)13-6-5-7-14(21)10-13/h5-10,24H,4H2,1-3H3
InChIKeyCCEQWQKHQTUQTQ-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.97
Rot. Bonds3

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

[4-ethyl-1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate (PubChem CID 69485531) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is [4-ethyl-1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate.

Molecular Properties

Compound Name[4-ethyl-1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate
PubChem CID69485531
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC Name[4-ethyl-1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate
SMILESCCc1c(O)ccc2c1c(OC(C)=O)c(C)n2C(=O)c1cccc(F)c1
InChIInChI=1S/C20H18FNO4/c1-4-15-17(24)9-8-16-18(15)19(26-12(3)23)11(2)22(16)20(25)13-6-5-7-14(21)10-13/h5-10,24H,4H2,1-3H3
InChIKeyCCEQWQKHQTUQTQ-UHFFFAOYSA-N
XLogP3.97
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-ethyl-1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate?
The IUPAC name of [4-ethyl-1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate (CID 69485531) is [4-ethyl-1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate.
What is the SMILES notation for [4-ethyl-1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate?
The canonical SMILES for [4-ethyl-1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate is CCc1c(O)ccc2c1c(OC(C)=O)c(C)n2C(=O)c1cccc(F)c1.
What is the InChIKey of [4-ethyl-1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate?
The InChIKey is CCEQWQKHQTUQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c1-4-15-17(24)9-8-16-18(15)19(26-12(3)23)11(2)22(16)20(25)13-6-5-7-14(21)10-13/h5-10,24H,4H2,1-3H3.
What are the key properties of [4-ethyl-1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate?
[4-ethyl-1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate has a molecular weight of 355.37 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate is sourced from PubChem (CID 69485531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).