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

C15H9ClN4O — CID 139663745

IUPAC2-[[2-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccccc1Oc1ccccc1Cl
InChIInChI=1S/C15H9ClN4O/c16-12-5-1-3-7-14(12)21-15-8-4-2-6-13(15)20-19-11(9-17)10-18/h1-8,20H
InChIKeyGHMGCNXBXWIZIF-UHFFFAOYSA-N
MW296.72 g/mol
LogP3.95
Rot. Bonds4

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

2-[[2-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 139663745) has the molecular formula C15H9ClN4O and a molecular weight of 296.72 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
PubChem CID139663745
Molecular FormulaC15H9ClN4O
Molecular Weight296.72 g/mol
Exact Mass296.05
IUPAC Name2-[[2-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccccc1Oc1ccccc1Cl
InChIInChI=1S/C15H9ClN4O/c16-12-5-1-3-7-14(12)21-15-8-4-2-6-13(15)20-19-11(9-17)10-18/h1-8,20H
InChIKeyGHMGCNXBXWIZIF-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-[[4-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169342011
2-[[2-(3-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169338954
2-[[2-(4-methoxyphenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169338491
2-[[2-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169338443
2-[(2-fluorophenyl)hydrazinylidene]propanedinitrile
CID 4229918
2-[[2-chloro-6-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339103
2-[[2-phenoxy-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169340503
2-[[2-(2-methoxyethylamino)phenyl]hydrazinylidene]propanedinitrile
CID 169342072
2-[(2-ethenylphenyl)hydrazinylidene]propanedinitrile
CID 169338563
2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile
CID 169341444
2-[[2-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169337449
2-[(2-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337574

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[2-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile (CID 139663745) is 2-[[2-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[2-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccccc1Oc1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is GHMGCNXBXWIZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O/c16-12-5-1-3-7-14(12)21-15-8-4-2-6-13(15)20-19-11(9-17)10-18/h1-8,20H.
What are the key properties of 2-[[2-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile?
2-[[2-(2-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-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 139663745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).