N-naphthalen-2-yl-2-oxopropanehydrazonoyl chloride

C13H11ClN2O — CID 172879202

IUPACN-naphthalen-2-yl-2-oxopropanehydrazonoyl chloride
SMILESCC(=O)C(Cl)=NNc1ccc2ccccc2c1
InChIInChI=1S/C13H11ClN2O/c1-9(17)13(14)16-15-12-7-6-10-4-2-3-5-11(10)8-12/h2-8,15H,1H3
InChIKeyHSPHHXOBHLEYEB-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.39
Rot. Bonds3

About N-naphthalen-2-yl-2-oxopropanehydrazonoyl chloride

N-naphthalen-2-yl-2-oxopropanehydrazonoyl chloride (PubChem CID 172879202) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is N-naphthalen-2-yl-2-oxopropanehydrazonoyl chloride.

Molecular Properties

Compound NameN-naphthalen-2-yl-2-oxopropanehydrazonoyl chloride
PubChem CID172879202
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC NameN-naphthalen-2-yl-2-oxopropanehydrazonoyl chloride
SMILESCC(=O)C(Cl)=NNc1ccc2ccccc2c1
InChIInChI=1S/C13H11ClN2O/c1-9(17)13(14)16-15-12-7-6-10-4-2-3-5-11(10)8-12/h2-8,15H,1H3
InChIKeyHSPHHXOBHLEYEB-UHFFFAOYSA-N
XLogP3.39
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-naphthalen-2-yl-2-oxopropanehydrazonoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1Z)-N-(3-methoxyphenyl)-2-oxopropanehydrazonoyl chloride
CID 22909163
N-(4-bromophenyl)-2-oxopropanehydrazonoyl chloride
CID 2771519
(1Z)-N-(4-methylsulfonylphenyl)-2-oxopropanehydrazonoyl chloride
CID 22909153
1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(naphthalen-2-ylhydrazinylidene)propan-2-one
CID 172879323
N-[(Z)-1-naphthalen-2-ylethylideneamino]-4-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzamide;sulfuric acid
CID 75409659
2-(2,6-dimethylanilino)-N-(naphthalen-2-ylamino)-2-oxoethanimidoyl cyanide
CID 4843986
1-methyl-3-naphthalen-2-ylurea
CID 3454681
N-phenylnaphthalene-2-carbohydrazonoyl chloride
CID 167437589
(Z)-4-(naphthalen-2-ylamino)pent-3-en-2-one
CID 7335849
N-naphthalen-2-ylcarbamoyl bromide
CID 115193346
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205
(1Z)-N-(4-methylphenyl)-2-naphthalen-2-yl-2-oxoethanehydrazonoyl bromide
CID 10915553

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-2-oxopropanehydrazonoyl chloride?
The IUPAC name of N-naphthalen-2-yl-2-oxopropanehydrazonoyl chloride (CID 172879202) is N-naphthalen-2-yl-2-oxopropanehydrazonoyl chloride.
What is the SMILES notation for N-naphthalen-2-yl-2-oxopropanehydrazonoyl chloride?
The canonical SMILES for N-naphthalen-2-yl-2-oxopropanehydrazonoyl chloride is CC(=O)C(Cl)=NNc1ccc2ccccc2c1.
What is the InChIKey of N-naphthalen-2-yl-2-oxopropanehydrazonoyl chloride?
The InChIKey is HSPHHXOBHLEYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c1-9(17)13(14)16-15-12-7-6-10-4-2-3-5-11(10)8-12/h2-8,15H,1H3.
What are the key properties of N-naphthalen-2-yl-2-oxopropanehydrazonoyl chloride?
N-naphthalen-2-yl-2-oxopropanehydrazonoyl chloride has a molecular weight of 246.70 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-2-oxopropanehydrazonoyl chloride is sourced from PubChem (CID 172879202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).