5-chloro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole

C20H18ClFN2 — CID 15648963

IUPAC5-chloro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
SMILESCN1CC=C(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1
InChIInChI=1S/C20H18ClFN2/c1-23-10-8-14(9-11-23)19-13-24(17-5-3-16(22)4-6-17)20-7-2-15(21)12-18(19)20/h2-8,12-13H,9-11H2,1H3
InChIKeyVMZWFUNEODYUEN-UHFFFAOYSA-N
MW340.83 g/mol
LogP5.14
Rot. Bonds2

About 5-chloro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole

5-chloro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole (PubChem CID 15648963) has the molecular formula C20H18ClFN2 and a molecular weight of 340.83 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole.

Molecular Properties

Compound Name5-chloro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
PubChem CID15648963
Molecular FormulaC20H18ClFN2
Molecular Weight340.83 g/mol
Exact Mass340.11
IUPAC Name5-chloro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
SMILESCN1CC=C(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1
InChIInChI=1S/C20H18ClFN2/c1-23-10-8-14(9-11-23)19-13-24(17-5-3-16(22)4-6-17)20-7-2-15(21)12-18(19)20/h2-8,12-13H,9-11H2,1H3
InChIKeyVMZWFUNEODYUEN-UHFFFAOYSA-N
XLogP5.14
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.83
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole (CID 15648963) is 5-chloro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole.
What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole is CN1CC=C(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1.
What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The InChIKey is VMZWFUNEODYUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2/c1-23-10-8-14(9-11-23)19-13-24(17-5-3-16(22)4-6-17)20-7-2-15(21)12-18(19)20/h2-8,12-13H,9-11H2,1H3.
What are the key properties of 5-chloro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
5-chloro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole has a molecular weight of 340.83 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole is sourced from PubChem (CID 15648963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).