4-[2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile

C15H11ClN4O2 — CID 3442354

IUPAC4-[2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile
SMILESCC(=NNc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN4O2/c1-10(12-3-5-13(16)6-4-12)18-19-14-7-2-11(9-17)8-15(14)20(21)22/h2-8,19H,1H3
InChIKeyNYYPRIDJPSURAA-UHFFFAOYSA-N
MW314.73 g/mol
LogP3.96
Rot. Bonds4

About 4-[2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile

4-[2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile (PubChem CID 3442354) has the molecular formula C15H11ClN4O2 and a molecular weight of 314.73 g/mol. Its IUPAC name is 4-[2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile.

Molecular Properties

Compound Name4-[2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile
PubChem CID3442354
Molecular FormulaC15H11ClN4O2
Molecular Weight314.73 g/mol
Exact Mass314.06
IUPAC Name4-[2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile
SMILESCC(=NNc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN4O2/c1-10(12-3-5-13(16)6-4-12)18-19-14-7-2-11(9-17)8-15(14)20(21)22/h2-8,19H,1H3
InChIKeyNYYPRIDJPSURAA-UHFFFAOYSA-N
XLogP3.96
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile 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

N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2,4-dinitroaniline
CID 6138465
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 6007515
N-(4-chlorophenyl)-2-[2-[1-(4-cyanophenyl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 4166078
4-[2-[1-(4-cyanophenyl)ethylidene]hydrazinyl]-3-nitro-N-phenylbenzenesulfonamide
CID 3543009
N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2,4-dinitroaniline
CID 139082946
2,4-dinitro-N-(1-phenylethylideneamino)aniline
CID 15503
N-(4-chloro-2-nitrophenyl)-4-cyanobenzamide
CID 103601732
N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2,4-dinitroaniline
CID 6154139
N-(4-chlorophenyl)-4-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-3-nitrobenzenesulfonamide
CID 5144698
4-[2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 5219545
4-[(2Z)-2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6305098
4-[C-methyl-N-[2-nitro-4-(trifluoromethyl)anilino]carbonimidoyl]phenol
CID 3257708

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile?
The IUPAC name of 4-[2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile (CID 3442354) is 4-[2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile.
What is the SMILES notation for 4-[2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile?
The canonical SMILES for 4-[2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile is CC(=NNc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(Cl)cc1.
What is the InChIKey of 4-[2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile?
The InChIKey is NYYPRIDJPSURAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2/c1-10(12-3-5-13(16)6-4-12)18-19-14-7-2-11(9-17)8-15(14)20(21)22/h2-8,19H,1H3.
What are the key properties of 4-[2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile?
4-[2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile has a molecular weight of 314.73 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile is sourced from PubChem (CID 3442354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).