3-chloro-1-(4-fluorophenyl)-5-propylindole

C17H15ClFN — CID 91084496

IUPAC3-chloro-1-(4-fluorophenyl)-5-propylindole
SMILESCCCc1ccc2c(c1)c(Cl)cn2-c1ccc(F)cc1
InChIInChI=1S/C17H15ClFN/c1-2-3-12-4-9-17-15(10-12)16(18)11-20(17)14-7-5-13(19)6-8-14/h4-11H,2-3H2,1H3
InChIKeyWEGBIQFAPLBAHT-UHFFFAOYSA-N
MW287.77 g/mol
LogP5.38
Rot. Bonds3

About 3-chloro-1-(4-fluorophenyl)-5-propylindole

3-chloro-1-(4-fluorophenyl)-5-propylindole (PubChem CID 91084496) has the molecular formula C17H15ClFN and a molecular weight of 287.77 g/mol. Its IUPAC name is 3-chloro-1-(4-fluorophenyl)-5-propylindole.

Molecular Properties

Compound Name3-chloro-1-(4-fluorophenyl)-5-propylindole
PubChem CID91084496
Molecular FormulaC17H15ClFN
Molecular Weight287.77 g/mol
Exact Mass287.09
IUPAC Name3-chloro-1-(4-fluorophenyl)-5-propylindole
SMILESCCCc1ccc2c(c1)c(Cl)cn2-c1ccc(F)cc1
InChIInChI=1S/C17H15ClFN/c1-2-3-12-4-9-17-15(10-12)16(18)11-20(17)14-7-5-13(19)6-8-14/h4-11H,2-3H2,1H3
InChIKeyWEGBIQFAPLBAHT-UHFFFAOYSA-N
XLogP5.38
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.77
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(4-fluorophenyl)-5-propylindole?
The IUPAC name of 3-chloro-1-(4-fluorophenyl)-5-propylindole (CID 91084496) is 3-chloro-1-(4-fluorophenyl)-5-propylindole.
What is the SMILES notation for 3-chloro-1-(4-fluorophenyl)-5-propylindole?
The canonical SMILES for 3-chloro-1-(4-fluorophenyl)-5-propylindole is CCCc1ccc2c(c1)c(Cl)cn2-c1ccc(F)cc1.
What is the InChIKey of 3-chloro-1-(4-fluorophenyl)-5-propylindole?
The InChIKey is WEGBIQFAPLBAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN/c1-2-3-12-4-9-17-15(10-12)16(18)11-20(17)14-7-5-13(19)6-8-14/h4-11H,2-3H2,1H3.
What are the key properties of 3-chloro-1-(4-fluorophenyl)-5-propylindole?
3-chloro-1-(4-fluorophenyl)-5-propylindole has a molecular weight of 287.77 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(4-fluorophenyl)-5-propylindole is sourced from PubChem (CID 91084496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).