1-acetyl-6-fluoro-N-(2-morpholin-4-ylethyl)indole-3-carboxamide

C17H20FN3O3 — CID 113212878

IUPAC1-acetyl-6-fluoro-N-(2-morpholin-4-ylethyl)indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)NCCN2CCOCC2)c2ccc(F)cc21
InChIInChI=1S/C17H20FN3O3/c1-12(22)21-11-15(14-3-2-13(18)10-16(14)21)17(23)19-4-5-20-6-8-24-9-7-20/h2-3,10-11H,4-9H2,1H3,(H,19,23)
InChIKeyINYCIWCOAHAUJS-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.50
Rot. Bonds4

About 1-acetyl-6-fluoro-N-(2-morpholin-4-ylethyl)indole-3-carboxamide

1-acetyl-6-fluoro-N-(2-morpholin-4-ylethyl)indole-3-carboxamide (PubChem CID 113212878) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-acetyl-6-fluoro-N-(2-morpholin-4-ylethyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-6-fluoro-N-(2-morpholin-4-ylethyl)indole-3-carboxamide
PubChem CID113212878
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name1-acetyl-6-fluoro-N-(2-morpholin-4-ylethyl)indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)NCCN2CCOCC2)c2ccc(F)cc21
InChIInChI=1S/C17H20FN3O3/c1-12(22)21-11-15(14-3-2-13(18)10-16(14)21)17(23)19-4-5-20-6-8-24-9-7-20/h2-3,10-11H,4-9H2,1H3,(H,19,23)
InChIKeyINYCIWCOAHAUJS-UHFFFAOYSA-N
XLogP1.50
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 55138823
4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 115745095
4-fluoro-2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 118913406
5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 43510748
1-acetyl-N-(1,3-benzodioxol-5-yl)-6-fluoroindole-3-carboxamide
CID 113213026
6-fluoro-N-(2-morpholin-4-ylethyl)-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide
CID 162651076
4-N-(2,4-difluorophenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045931
6-hydroxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide
CID 59995050
1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
CID 91130996
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
2-(dimethylamino)-5-[(4-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 42747418
4-fluoro-N-(3-morpholin-4-ylpropyl)-2-nitrobenzamide
CID 21240823

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-6-fluoro-N-(2-morpholin-4-ylethyl)indole-3-carboxamide?
The IUPAC name of 1-acetyl-6-fluoro-N-(2-morpholin-4-ylethyl)indole-3-carboxamide (CID 113212878) is 1-acetyl-6-fluoro-N-(2-morpholin-4-ylethyl)indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-6-fluoro-N-(2-morpholin-4-ylethyl)indole-3-carboxamide?
The canonical SMILES for 1-acetyl-6-fluoro-N-(2-morpholin-4-ylethyl)indole-3-carboxamide is CC(=O)n1cc(C(=O)NCCN2CCOCC2)c2ccc(F)cc21.
What is the InChIKey of 1-acetyl-6-fluoro-N-(2-morpholin-4-ylethyl)indole-3-carboxamide?
The InChIKey is INYCIWCOAHAUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-12(22)21-11-15(14-3-2-13(18)10-16(14)21)17(23)19-4-5-20-6-8-24-9-7-20/h2-3,10-11H,4-9H2,1H3,(H,19,23).
What are the key properties of 1-acetyl-6-fluoro-N-(2-morpholin-4-ylethyl)indole-3-carboxamide?
1-acetyl-6-fluoro-N-(2-morpholin-4-ylethyl)indole-3-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-6-fluoro-N-(2-morpholin-4-ylethyl)indole-3-carboxamide is sourced from PubChem (CID 113212878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).