2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-N'-hydroxybutanimidamide

C13H16FN3O2 — CID 103501035

IUPAC2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-N'-hydroxybutanimidamide
SMILESCCC(C(=O)N1CCc2ccc(F)cc21)/C(N)=N/O
InChIInChI=1S/C13H16FN3O2/c1-2-10(12(15)16-19)13(18)17-6-5-8-3-4-9(14)7-11(8)17/h3-4,7,10,19H,2,5-6H2,1H3,(H2,15,16)
InChIKeyZBOOKYSMRBJGCD-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.49
Rot. Bonds3

About 2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-N'-hydroxybutanimidamide

2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-N'-hydroxybutanimidamide (PubChem CID 103501035) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-N'-hydroxybutanimidamide
PubChem CID103501035
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-N'-hydroxybutanimidamide
SMILESCCC(C(=O)N1CCc2ccc(F)cc21)/C(N)=N/O
InChIInChI=1S/C13H16FN3O2/c1-2-10(12(15)16-19)13(18)17-6-5-8-3-4-9(14)7-11(8)17/h3-4,7,10,19H,2,5-6H2,1H3,(H2,15,16)
InChIKeyZBOOKYSMRBJGCD-UHFFFAOYSA-N
XLogP1.49
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one
CID 103796148
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119310117
N'-hydroxy-2-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)butanimidamide
CID 76926455
2-(aminomethyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpentan-1-one
CID 103810185
2-bromo-1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 103494351
2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-2-methylbutanethioamide
CID 103495616
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
6-amino-4-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)hexan-1-one
CID 103495276
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide
CID 103495606
2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)-methylamino]butanoic acid
CID 103499882
1-(6-fluoro-2,3-dihydroindol-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107037118

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-N'-hydroxybutanimidamide (CID 103501035) is 2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-N'-hydroxybutanimidamide is CCC(C(=O)N1CCc2ccc(F)cc21)/C(N)=N/O.
What is the InChIKey of 2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-N'-hydroxybutanimidamide?
The InChIKey is ZBOOKYSMRBJGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-2-10(12(15)16-19)13(18)17-6-5-8-3-4-9(14)7-11(8)17/h3-4,7,10,19H,2,5-6H2,1H3,(H2,15,16).
What are the key properties of 2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-N'-hydroxybutanimidamide?
2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-N'-hydroxybutanimidamide has a molecular weight of 265.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-N'-hydroxybutanimidamide is sourced from PubChem (CID 103501035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).