3-(6-chloro-2-oxo-3H-indol-1-yl)-2,2-dimethylpropanehydrazide

C13H16ClN3O2 — CID 79630982

IUPAC3-(6-chloro-2-oxo-3H-indol-1-yl)-2,2-dimethylpropanehydrazide
SMILESCC(C)(CN1C(=O)Cc2ccc(Cl)cc21)C(=O)NN
InChIInChI=1S/C13H16ClN3O2/c1-13(2,12(19)16-15)7-17-10-6-9(14)4-3-8(10)5-11(17)18/h3-4,6H,5,7,15H2,1-2H3,(H,16,19)
InChIKeyIJWUETBFLPXUME-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.25
Rot. Bonds3

About 3-(6-chloro-2-oxo-3H-indol-1-yl)-2,2-dimethylpropanehydrazide

3-(6-chloro-2-oxo-3H-indol-1-yl)-2,2-dimethylpropanehydrazide (PubChem CID 79630982) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 3-(6-chloro-2-oxo-3H-indol-1-yl)-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-(6-chloro-2-oxo-3H-indol-1-yl)-2,2-dimethylpropanehydrazide
PubChem CID79630982
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name3-(6-chloro-2-oxo-3H-indol-1-yl)-2,2-dimethylpropanehydrazide
SMILESCC(C)(CN1C(=O)Cc2ccc(Cl)cc21)C(=O)NN
InChIInChI=1S/C13H16ClN3O2/c1-13(2,12(19)16-15)7-17-10-6-9(14)4-3-8(10)5-11(17)18/h3-4,6H,5,7,15H2,1-2H3,(H,16,19)
InChIKeyIJWUETBFLPXUME-UHFFFAOYSA-N
XLogP1.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.25
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

5-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]thiophene-2-carbohydrazide
CID 63571848
6-chloro-1-(5-oxohexyl)-3H-indol-2-one
CID 62017686
6-chloro-1-prop-2-ynyl-3H-indol-2-one
CID 61344508
1-[(3-amino-2-methylphenyl)methyl]-6-chloro-3H-indol-2-one
CID 43509234
7-amino-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]heptanamide;hydrochloride
CID 119756085
6-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3H-indol-2-one
CID 80610232
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-4-carboxamide
CID 119307604
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-1-ethyl-6-oxopyridazine-3-carboxamide
CID 86933819
3-(4-chloropyrazol-1-yl)-2,2-dimethylpropanehydrazide
CID 79631561
3-(5,7-difluoro-2,3-dioxoindol-1-yl)-2,2-dimethylpropanehydrazide
CID 79629837
2-(5-chloro-2-oxo-3H-indol-1-yl)-2-methoxypropanamide
CID 90968419
2-(5-chloro-2-fluorophenyl)-2-methylpropanehydrazide
CID 116844040

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-oxo-3H-indol-1-yl)-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-(6-chloro-2-oxo-3H-indol-1-yl)-2,2-dimethylpropanehydrazide (CID 79630982) is 3-(6-chloro-2-oxo-3H-indol-1-yl)-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-(6-chloro-2-oxo-3H-indol-1-yl)-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-(6-chloro-2-oxo-3H-indol-1-yl)-2,2-dimethylpropanehydrazide is CC(C)(CN1C(=O)Cc2ccc(Cl)cc21)C(=O)NN.
What is the InChIKey of 3-(6-chloro-2-oxo-3H-indol-1-yl)-2,2-dimethylpropanehydrazide?
The InChIKey is IJWUETBFLPXUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-13(2,12(19)16-15)7-17-10-6-9(14)4-3-8(10)5-11(17)18/h3-4,6H,5,7,15H2,1-2H3,(H,16,19).
What are the key properties of 3-(6-chloro-2-oxo-3H-indol-1-yl)-2,2-dimethylpropanehydrazide?
3-(6-chloro-2-oxo-3H-indol-1-yl)-2,2-dimethylpropanehydrazide has a molecular weight of 281.74 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-oxo-3H-indol-1-yl)-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79630982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).