(2S)-4-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide

C17H20FN3O3 — CID 124953771

IUPAC(2S)-4-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
SMILESCNC(=O)[C@]1(C)CN(C(=O)c2[nH]c3ccc(F)cc3c2C)CCO1
InChIInChI=1S/C17H20FN3O3/c1-10-12-8-11(18)4-5-13(12)20-14(10)15(22)21-6-7-24-17(2,9-21)16(23)19-3/h4-5,8,20H,6-7,9H2,1-3H3,(H,19,23)/t17-/m0/s1
InChIKeyDXOALKMOTWOIBF-KRWDZBQOSA-N
MW333.36 g/mol
LogP1.59
Rot. Bonds2

About (2S)-4-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide

(2S)-4-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide (PubChem CID 124953771) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is (2S)-4-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
PubChem CID124953771
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name(2S)-4-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
SMILESCNC(=O)[C@]1(C)CN(C(=O)c2[nH]c3ccc(F)cc3c2C)CCO1
InChIInChI=1S/C17H20FN3O3/c1-10-12-8-11(18)4-5-13(12)20-14(10)15(22)21-6-7-24-17(2,9-21)16(23)19-3/h4-5,8,20H,6-7,9H2,1-3H3,(H,19,23)/t17-/m0/s1
InChIKeyDXOALKMOTWOIBF-KRWDZBQOSA-N
XLogP1.59
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 95839618
(5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone
CID 113204518
4-(5-fluoro-1-methylindole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
CID 110094849
8-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
CID 132764186
4-(5-methoxy-1H-indole-3-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
CID 132764227
5-fluoro-3-methyl-1H-indole-2-carboxylic acid
CID 1132967
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-methyl-1H-indol-2-yl)methanone
CID 113205147
(5-fluoro-3-methyl-1H-indol-2-yl)-[4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]methanone
CID 110123307
(2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
CID 95815552
(2S)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide
CID 124958385
(2R)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide
CID 124958386
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone
CID 155983480

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide?
The IUPAC name of (2S)-4-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide (CID 124953771) is (2S)-4-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-4-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide is CNC(=O)[C@]1(C)CN(C(=O)c2[nH]c3ccc(F)cc3c2C)CCO1.
What is the InChIKey of (2S)-4-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide?
The InChIKey is DXOALKMOTWOIBF-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-10-12-8-11(18)4-5-13(12)20-14(10)15(22)21-6-7-24-17(2,9-21)16(23)19-3/h4-5,8,20H,6-7,9H2,1-3H3,(H,19,23)/t17-/m0/s1.
What are the key properties of (2S)-4-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide?
(2S)-4-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 124953771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).