5-fluoro-N-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole-1-carboxamide

C20H18FN3O — CID 118712404

IUPAC5-fluoro-N-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole-1-carboxamide
SMILESO=C(Nc1ccccc1)n1cc(C2=CCNCC2)c2cc(F)ccc21
InChIInChI=1S/C20H18FN3O/c21-15-6-7-19-17(12-15)18(14-8-10-22-11-9-14)13-24(19)20(25)23-16-4-2-1-3-5-16/h1-8,12-13,22H,9-11H2,(H,23,25)
InChIKeyLNSUJHWAHBVTDL-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.24
Rot. Bonds2

About 5-fluoro-N-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole-1-carboxamide

5-fluoro-N-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole-1-carboxamide (PubChem CID 118712404) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 5-fluoro-N-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole-1-carboxamide
PubChem CID118712404
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name5-fluoro-N-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole-1-carboxamide
SMILESO=C(Nc1ccccc1)n1cc(C2=CCNCC2)c2cc(F)ccc21
InChIInChI=1S/C20H18FN3O/c21-15-6-7-19-17(12-15)18(14-8-10-22-11-9-14)13-24(19)20(25)23-16-4-2-1-3-5-16/h1-8,12-13,22H,9-11H2,(H,23,25)
InChIKeyLNSUJHWAHBVTDL-UHFFFAOYSA-N
XLogP4.24
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole-1-carboxamide?
The IUPAC name of 5-fluoro-N-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole-1-carboxamide (CID 118712404) is 5-fluoro-N-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole-1-carboxamide?
The canonical SMILES for 5-fluoro-N-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole-1-carboxamide is O=C(Nc1ccccc1)n1cc(C2=CCNCC2)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-N-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole-1-carboxamide?
The InChIKey is LNSUJHWAHBVTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c21-15-6-7-19-17(12-15)18(14-8-10-22-11-9-14)13-24(19)20(25)23-16-4-2-1-3-5-16/h1-8,12-13,22H,9-11H2,(H,23,25).
What are the key properties of 5-fluoro-N-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole-1-carboxamide?
5-fluoro-N-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole-1-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole-1-carboxamide is sourced from PubChem (CID 118712404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).