N'-(3-chlorophenyl)-1-cyanoformohydrazide

C8H6ClN3O — CID 165047892

IUPACN'-(3-chlorophenyl)-1-cyanoformohydrazide
SMILESN#CC(=O)NNc1cccc(Cl)c1
InChIInChI=1S/C8H6ClN3O/c9-6-2-1-3-7(4-6)11-12-8(13)5-10/h1-4,11H,(H,12,13)
InChIKeyPEPOZGMTIQZKRK-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.31
Rot. Bonds2

About N'-(3-chlorophenyl)-1-cyanoformohydrazide

N'-(3-chlorophenyl)-1-cyanoformohydrazide (PubChem CID 165047892) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-1-cyanoformohydrazide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-1-cyanoformohydrazide
PubChem CID165047892
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC NameN'-(3-chlorophenyl)-1-cyanoformohydrazide
SMILESN#CC(=O)NNc1cccc(Cl)c1
InChIInChI=1S/C8H6ClN3O/c9-6-2-1-3-7(4-6)11-12-8(13)5-10/h1-4,11H,(H,12,13)
InChIKeyPEPOZGMTIQZKRK-UHFFFAOYSA-N
XLogP1.31
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_cyanide', '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 N'-(3-chlorophenyl)-1-cyanoformohydrazide?
The IUPAC name of N'-(3-chlorophenyl)-1-cyanoformohydrazide (CID 165047892) is N'-(3-chlorophenyl)-1-cyanoformohydrazide.
What is the SMILES notation for N'-(3-chlorophenyl)-1-cyanoformohydrazide?
The canonical SMILES for N'-(3-chlorophenyl)-1-cyanoformohydrazide is N#CC(=O)NNc1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorophenyl)-1-cyanoformohydrazide?
The InChIKey is PEPOZGMTIQZKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c9-6-2-1-3-7(4-6)11-12-8(13)5-10/h1-4,11H,(H,12,13).
What are the key properties of N'-(3-chlorophenyl)-1-cyanoformohydrazide?
N'-(3-chlorophenyl)-1-cyanoformohydrazide has a molecular weight of 195.61 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-1-cyanoformohydrazide is sourced from PubChem (CID 165047892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).