4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide

C12H16FN3O — CID 103503791

IUPAC4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide
SMILESNNC(=O)CCCN1CCc2ccc(F)cc21
InChIInChI=1S/C12H16FN3O/c13-10-4-3-9-5-7-16(11(9)8-10)6-1-2-12(17)15-14/h3-4,8H,1-2,5-7,14H2,(H,15,17)
InChIKeyYXQFWBARALGODY-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.96
Rot. Bonds4

About 4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide

4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide (PubChem CID 103503791) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide.

Molecular Properties

Compound Name4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide
PubChem CID103503791
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide
SMILESNNC(=O)CCCN1CCc2ccc(F)cc21
InChIInChI=1S/C12H16FN3O/c13-10-4-3-9-5-7-16(11(9)8-10)6-1-2-12(17)15-14/h3-4,8H,1-2,5-7,14H2,(H,15,17)
InChIKeyYXQFWBARALGODY-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one
CID 106801628
3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide
CID 130269379
4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol
CID 103504365
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylbutan-1-amine
CID 103497056
5-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpentan-1-amine
CID 103503121
5-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)pentanamide
CID 103501869
N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine
CID 103494949
4-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline
CID 103495865
1-(4-bromophenyl)-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103502441
6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)hexan-1-ol
CID 103503977
methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 103497970
3-(6-fluoro-2,3-dihydroindol-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 103502450

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide?
The IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide (CID 103503791) is 4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide.
What is the SMILES notation for 4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide?
The canonical SMILES for 4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide is NNC(=O)CCCN1CCc2ccc(F)cc21.
What is the InChIKey of 4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide?
The InChIKey is YXQFWBARALGODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-10-4-3-9-5-7-16(11(9)8-10)6-1-2-12(17)15-14/h3-4,8H,1-2,5-7,14H2,(H,15,17).
What are the key properties of 4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide?
4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide has a molecular weight of 237.28 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide is sourced from PubChem (CID 103503791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).