[5-chloro-1-(4-fluorophenyl)indol-3-yl] acetate

C16H11ClFNO2 — CID 10924714

IUPAC[5-chloro-1-(4-fluorophenyl)indol-3-yl] acetate
SMILESCC(=O)Oc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C16H11ClFNO2/c1-10(20)21-16-9-19(13-5-3-12(18)4-6-13)15-7-2-11(17)8-14(15)16/h2-9H,1H3
InChIKeyORYHRBOKCCLJRE-UHFFFAOYSA-N
MW303.72 g/mol
LogP4.35
Rot. Bonds2

About [5-chloro-1-(4-fluorophenyl)indol-3-yl] acetate

[5-chloro-1-(4-fluorophenyl)indol-3-yl] acetate (PubChem CID 10924714) has the molecular formula C16H11ClFNO2 and a molecular weight of 303.72 g/mol. Its IUPAC name is [5-chloro-1-(4-fluorophenyl)indol-3-yl] acetate.

Molecular Properties

Compound Name[5-chloro-1-(4-fluorophenyl)indol-3-yl] acetate
PubChem CID10924714
Molecular FormulaC16H11ClFNO2
Molecular Weight303.72 g/mol
Exact Mass303.05
IUPAC Name[5-chloro-1-(4-fluorophenyl)indol-3-yl] acetate
SMILESCC(=O)Oc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C16H11ClFNO2/c1-10(20)21-16-9-19(13-5-3-12(18)4-6-13)15-7-2-11(17)8-14(15)16/h2-9H,1H3
InChIKeyORYHRBOKCCLJRE-UHFFFAOYSA-N
XLogP4.35
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-(4-fluorophenyl)indol-3-yl] acetate?
The IUPAC name of [5-chloro-1-(4-fluorophenyl)indol-3-yl] acetate (CID 10924714) is [5-chloro-1-(4-fluorophenyl)indol-3-yl] acetate.
What is the SMILES notation for [5-chloro-1-(4-fluorophenyl)indol-3-yl] acetate?
The canonical SMILES for [5-chloro-1-(4-fluorophenyl)indol-3-yl] acetate is CC(=O)Oc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12.
What is the InChIKey of [5-chloro-1-(4-fluorophenyl)indol-3-yl] acetate?
The InChIKey is ORYHRBOKCCLJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO2/c1-10(20)21-16-9-19(13-5-3-12(18)4-6-13)15-7-2-11(17)8-14(15)16/h2-9H,1H3.
What are the key properties of [5-chloro-1-(4-fluorophenyl)indol-3-yl] acetate?
[5-chloro-1-(4-fluorophenyl)indol-3-yl] acetate has a molecular weight of 303.72 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-(4-fluorophenyl)indol-3-yl] acetate is sourced from PubChem (CID 10924714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).