2-[[2-(3-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile

C15H9ClN4O — CID 169338954

IUPAC2-[[2-(3-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccccc1Oc1cccc(Cl)c1
InChIInChI=1S/C15H9ClN4O/c16-11-4-3-5-13(8-11)21-15-7-2-1-6-14(15)20-19-12(9-17)10-18/h1-8,20H
InChIKeyQBJUQDDDDKQYAS-UHFFFAOYSA-N
MW296.72 g/mol
LogP3.95
Rot. Bonds4

About 2-[[2-(3-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile

2-[[2-(3-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169338954) has the molecular formula C15H9ClN4O and a molecular weight of 296.72 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-(3-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169338954
Molecular FormulaC15H9ClN4O
Molecular Weight296.72 g/mol
Exact Mass296.05
IUPAC Name2-[[2-(3-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccccc1Oc1cccc(Cl)c1
InChIInChI=1S/C15H9ClN4O/c16-11-4-3-5-13(8-11)21-15-7-2-1-6-14(15)20-19-12(9-17)10-18/h1-8,20H
InChIKeyQBJUQDDDDKQYAS-UHFFFAOYSA-N
XLogP3.95
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 139663745
2-[[2-(4-methoxyphenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169338491
2-[(3-chlorophenoxy)hydrazinylidene]propanedinitrile
CID 87788838
2-[[2-phenoxy-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169340503
2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
CID 2603
2-[[4-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169342011
2-[[2-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169338443
2-[[3-(4-fluorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339853
2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile
CID 169340826
2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile
CID 166903327
1-chloro-3-(2-iodophenoxy)benzene
CID 138106392
5-chloro-2-(3-chlorophenoxy)benzonitrile
CID 63512022

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[2-(3-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile (CID 169338954) is 2-[[2-(3-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-(3-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[2-(3-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccccc1Oc1cccc(Cl)c1.
What is the InChIKey of 2-[[2-(3-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is QBJUQDDDDKQYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O/c16-11-4-3-5-13(8-11)21-15-7-2-1-6-14(15)20-19-12(9-17)10-18/h1-8,20H.
What are the key properties of 2-[[2-(3-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile?
2-[[2-(3-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 296.72 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169338954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).