2-[[4-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile

C15H9ClN4O — CID 169342011

IUPAC2-[[4-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C15H9ClN4O/c16-14-3-1-2-4-15(14)21-13-7-5-11(6-8-13)19-20-12(9-17)10-18/h1-8,19H
InChIKeyLTAGMITVRMMDPZ-UHFFFAOYSA-N
MW296.72 g/mol
LogP3.95
Rot. Bonds4

About 2-[[4-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile

2-[[4-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169342011) has the molecular formula C15H9ClN4O and a molecular weight of 296.72 g/mol. Its IUPAC name is 2-[[4-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[4-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169342011
Molecular FormulaC15H9ClN4O
Molecular Weight296.72 g/mol
Exact Mass296.05
IUPAC Name2-[[4-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C15H9ClN4O/c16-14-3-1-2-4-15(14)21-13-7-5-11(6-8-13)19-20-12(9-17)10-18/h1-8,19H
InChIKeyLTAGMITVRMMDPZ-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'}

Analyze 2-[[4-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile 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

2-[[2-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 139663745
2-[[3-chloro-4-(3,4-dimethylphenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339212
2-[(4-pyrimidin-2-yloxyphenyl)hydrazinylidene]propanedinitrile
CID 163611067
2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile
CID 166903327
2-[[2-(4-methoxyphenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169338491
4-[4-[2-(dicyanomethylidene)hydrazinyl]phenoxy]benzene-1,2-dicarbonitrile
CID 169337735
N-[4-(2-chlorophenoxy)phenyl]-2-cyanoacetamide
CID 168524296
2-[(4-fluorophenyl)hydrazinylidene]propanedinitrile
CID 832904
2-[[3-(4-fluorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339853
2-[[2-(3-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169338954
2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169337420
[4-(2-chlorophenoxy)phenyl]thiourea
CID 13275077

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[4-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile (CID 169342011) is 2-[[4-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[4-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[4-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of 2-[[4-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is LTAGMITVRMMDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O/c16-14-3-1-2-4-15(14)21-13-7-5-11(6-8-13)19-20-12(9-17)10-18/h1-8,19H.
What are the key properties of 2-[[4-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile?
2-[[4-(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-[[4-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169342011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).