4-(5-fluoro-1-methylindole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide

C17H20FN3O3 — CID 110094849

IUPAC4-(5-fluoro-1-methylindole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
SMILESCNC(=O)C1(C)CN(C(=O)c2cc3cc(F)ccc3n2C)CCO1
InChIInChI=1S/C17H20FN3O3/c1-17(16(23)19-2)10-21(6-7-24-17)15(22)14-9-11-8-12(18)4-5-13(11)20(14)3/h4-5,8-9H,6-7,10H2,1-3H3,(H,19,23)
InChIKeyBZAFNOMEUNMADT-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.29
Rot. Bonds2

About 4-(5-fluoro-1-methylindole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide

4-(5-fluoro-1-methylindole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide (PubChem CID 110094849) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 4-(5-fluoro-1-methylindole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-(5-fluoro-1-methylindole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
PubChem CID110094849
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name4-(5-fluoro-1-methylindole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
SMILESCNC(=O)C1(C)CN(C(=O)c2cc3cc(F)ccc3n2C)CCO1
InChIInChI=1S/C17H20FN3O3/c1-17(16(23)19-2)10-21(6-7-24-17)15(22)14-9-11-8-12(18)4-5-13(11)20(14)3/h4-5,8-9H,6-7,10H2,1-3H3,(H,19,23)
InChIKeyBZAFNOMEUNMADT-UHFFFAOYSA-N
XLogP1.29
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-(1,5-dimethylindole-2-carbonyl)-N,N,2-trimethylmorpholine-2-carboxamide
CID 92632573
(2S)-4-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
CID 124953771
1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 110086615
(2R)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 124982107
(5-fluoro-1-methylindol-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 118786071
(2S)-4-(5-fluoro-1-methylindole-2-carbonyl)-N,1-dimethylpiperazine-2-carboxamide
CID 125017209
(5-fluoro-1-methylindol-2-yl)-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 124961212
(2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
CID 95815552
(5-fluoro-1-methylindol-2-yl)-[(1S,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 97181355
(2S)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)piperazine-2-carboxamide
CID 125008346
(5-fluoro-1-methylindol-2-yl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110114269
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-1-methylindol-2-yl)methanone
CID 110853540

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1-methylindole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide?
The IUPAC name of 4-(5-fluoro-1-methylindole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide (CID 110094849) is 4-(5-fluoro-1-methylindole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide.
What is the SMILES notation for 4-(5-fluoro-1-methylindole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide?
The canonical SMILES for 4-(5-fluoro-1-methylindole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide is CNC(=O)C1(C)CN(C(=O)c2cc3cc(F)ccc3n2C)CCO1.
What is the InChIKey of 4-(5-fluoro-1-methylindole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide?
The InChIKey is BZAFNOMEUNMADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-17(16(23)19-2)10-21(6-7-24-17)15(22)14-9-11-8-12(18)4-5-13(11)20(14)3/h4-5,8-9H,6-7,10H2,1-3H3,(H,19,23).
What are the key properties of 4-(5-fluoro-1-methylindole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide?
4-(5-fluoro-1-methylindole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1-methylindole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 110094849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).