1-(3,4-dichlorophenyl)-4-hydrazinylidene-1H-naphthalen-2-one

C16H12Cl2N2O — CID 175907146

IUPAC1-(3,4-dichlorophenyl)-4-hydrazinylidene-1H-naphthalen-2-one
SMILESNN=C1CC(=O)C(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C16H12Cl2N2O/c17-12-6-5-9(7-13(12)18)16-11-4-2-1-3-10(11)14(20-19)8-15(16)21/h1-7,16H,8,19H2
InChIKeyUFRJJOXNBMYDGO-UHFFFAOYSA-N
MW319.19 g/mol
LogP3.76
Rot. Bonds1

About 1-(3,4-dichlorophenyl)-4-hydrazinylidene-1H-naphthalen-2-one

1-(3,4-dichlorophenyl)-4-hydrazinylidene-1H-naphthalen-2-one (PubChem CID 175907146) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-hydrazinylidene-1H-naphthalen-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-hydrazinylidene-1H-naphthalen-2-one
PubChem CID175907146
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name1-(3,4-dichlorophenyl)-4-hydrazinylidene-1H-naphthalen-2-one
SMILESNN=C1CC(=O)C(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C16H12Cl2N2O/c17-12-6-5-9(7-13(12)18)16-11-4-2-1-3-10(11)14(20-19)8-15(16)21/h1-7,16H,8,19H2
InChIKeyUFRJJOXNBMYDGO-UHFFFAOYSA-N
XLogP3.76
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-hydrazinylidene-1H-naphthalen-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-hydrazinylidene-1H-naphthalen-2-one (CID 175907146) is 1-(3,4-dichlorophenyl)-4-hydrazinylidene-1H-naphthalen-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-hydrazinylidene-1H-naphthalen-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-hydrazinylidene-1H-naphthalen-2-one is NN=C1CC(=O)C(c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-hydrazinylidene-1H-naphthalen-2-one?
The InChIKey is UFRJJOXNBMYDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c17-12-6-5-9(7-13(12)18)16-11-4-2-1-3-10(11)14(20-19)8-15(16)21/h1-7,16H,8,19H2.
What are the key properties of 1-(3,4-dichlorophenyl)-4-hydrazinylidene-1H-naphthalen-2-one?
1-(3,4-dichlorophenyl)-4-hydrazinylidene-1H-naphthalen-2-one has a molecular weight of 319.19 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4-hydrazinylidene-1H-naphthalen-2-one is sourced from PubChem (CID 175907146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).