4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)indole

C20H20ClFN2 — CID 167975019

IUPAC4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)indole
SMILESFc1cc(-c2cccc3c2ccn3CCN2CCCC2)ccc1Cl
InChIInChI=1S/C20H20ClFN2/c21-18-7-6-15(14-19(18)22)16-4-3-5-20-17(16)8-11-24(20)13-12-23-9-1-2-10-23/h3-8,11,14H,1-2,9-10,12-13H2
InChIKeyQVRLRVSJXOOOQV-UHFFFAOYSA-N
MW342.85 g/mol
LogP5.20
Rot. Bonds4

About 4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)indole

4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)indole (PubChem CID 167975019) has the molecular formula C20H20ClFN2 and a molecular weight of 342.85 g/mol. Its IUPAC name is 4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)indole.

Molecular Properties

Compound Name4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)indole
PubChem CID167975019
Molecular FormulaC20H20ClFN2
Molecular Weight342.85 g/mol
Exact Mass342.13
IUPAC Name4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)indole
SMILESFc1cc(-c2cccc3c2ccn3CCN2CCCC2)ccc1Cl
InChIInChI=1S/C20H20ClFN2/c21-18-7-6-15(14-19(18)22)16-4-3-5-20-17(16)8-11-24(20)13-12-23-9-1-2-10-23/h3-8,11,14H,1-2,9-10,12-13H2
InChIKeyQVRLRVSJXOOOQV-UHFFFAOYSA-N
XLogP5.20
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.85
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)indole?
The IUPAC name of 4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)indole (CID 167975019) is 4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)indole.
What is the SMILES notation for 4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)indole?
The canonical SMILES for 4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)indole is Fc1cc(-c2cccc3c2ccn3CCN2CCCC2)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)indole?
The InChIKey is QVRLRVSJXOOOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2/c21-18-7-6-15(14-19(18)22)16-4-3-5-20-17(16)8-11-24(20)13-12-23-9-1-2-10-23/h3-8,11,14H,1-2,9-10,12-13H2.
What are the key properties of 4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)indole?
4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)indole has a molecular weight of 342.85 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)indole is sourced from PubChem (CID 167975019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).