5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1H-indole-2-carboxamide

C17H22FN3O2 — CID 46555928

IUPAC5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1H-indole-2-carboxamide
SMILESCC(C)(CNC(=O)c1cc2cc(F)ccc2[nH]1)N1CCOCC1
InChIInChI=1S/C17H22FN3O2/c1-17(2,21-5-7-23-8-6-21)11-19-16(22)15-10-12-9-13(18)3-4-14(12)20-15/h3-4,9-10,20H,5-8,11H2,1-2H3,(H,19,22)
InChIKeyQTTGOVAJBYGJKJ-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.15
Rot. Bonds4

About 5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1H-indole-2-carboxamide

5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1H-indole-2-carboxamide (PubChem CID 46555928) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1H-indole-2-carboxamide
PubChem CID46555928
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1H-indole-2-carboxamide
SMILESCC(C)(CNC(=O)c1cc2cc(F)ccc2[nH]1)N1CCOCC1
InChIInChI=1S/C17H22FN3O2/c1-17(2,21-5-7-23-8-6-21)11-19-16(22)15-10-12-9-13(18)3-4-14(12)20-15/h3-4,9-10,20H,5-8,11H2,1-2H3,(H,19,22)
InChIKeyQTTGOVAJBYGJKJ-UHFFFAOYSA-N
XLogP2.15
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1H-indole-2-carboxamide (CID 46555928) is 5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1H-indole-2-carboxamide is CC(C)(CNC(=O)c1cc2cc(F)ccc2[nH]1)N1CCOCC1.
What is the InChIKey of 5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1H-indole-2-carboxamide?
The InChIKey is QTTGOVAJBYGJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-17(2,21-5-7-23-8-6-21)11-19-16(22)15-10-12-9-13(18)3-4-14(12)20-15/h3-4,9-10,20H,5-8,11H2,1-2H3,(H,19,22).
What are the key properties of 5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1H-indole-2-carboxamide?
5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1H-indole-2-carboxamide has a molecular weight of 319.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 46555928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).