5-chloro-1-(4-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydroindole

C19H18ClFN2 — CID 134990369

IUPAC5-chloro-1-(4-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydroindole
SMILESFc1ccc(N2CC(C3=CCNCC3)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C19H18ClFN2/c20-14-1-6-19-17(11-14)18(13-7-9-22-10-8-13)12-23(19)16-4-2-15(21)3-5-16/h1-7,11,18,22H,8-10,12H2
InChIKeyHFEODRNYJAGXKW-UHFFFAOYSA-N
MW328.82 g/mol
LogP4.63
Rot. Bonds2

About 5-chloro-1-(4-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydroindole

5-chloro-1-(4-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydroindole (PubChem CID 134990369) has the molecular formula C19H18ClFN2 and a molecular weight of 328.82 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name5-chloro-1-(4-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydroindole
PubChem CID134990369
Molecular FormulaC19H18ClFN2
Molecular Weight328.82 g/mol
Exact Mass328.11
IUPAC Name5-chloro-1-(4-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydroindole
SMILESFc1ccc(N2CC(C3=CCNCC3)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C19H18ClFN2/c20-14-1-6-19-17(11-14)18(13-7-9-22-10-8-13)12-23(19)16-4-2-15(21)3-5-16/h1-7,11,18,22H,8-10,12H2
InChIKeyHFEODRNYJAGXKW-UHFFFAOYSA-N
XLogP4.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydroindole?
The IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydroindole (CID 134990369) is 5-chloro-1-(4-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydroindole.
What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydroindole?
The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydroindole is Fc1ccc(N2CC(C3=CCNCC3)c3cc(Cl)ccc32)cc1.
What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydroindole?
The InChIKey is HFEODRNYJAGXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2/c20-14-1-6-19-17(11-14)18(13-7-9-22-10-8-13)12-23(19)16-4-2-15(21)3-5-16/h1-7,11,18,22H,8-10,12H2.
What are the key properties of 5-chloro-1-(4-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydroindole?
5-chloro-1-(4-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydroindole has a molecular weight of 328.82 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydroindole is sourced from PubChem (CID 134990369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).