N'-(3-chlorophenyl)cyclohexanecarbohydrazide

C13H17ClN2O — CID 2812495

IUPACN'-(3-chlorophenyl)cyclohexanecarbohydrazide
SMILESO=C(NNc1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C13H17ClN2O/c14-11-7-4-8-12(9-11)15-16-13(17)10-5-2-1-3-6-10/h4,7-10,15H,1-3,5-6H2,(H,16,17)
InChIKeyJJXLOUUHJTWKLK-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.36
Rot. Bonds3

About N'-(3-chlorophenyl)cyclohexanecarbohydrazide

N'-(3-chlorophenyl)cyclohexanecarbohydrazide (PubChem CID 2812495) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is N'-(3-chlorophenyl)cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)cyclohexanecarbohydrazide
PubChem CID2812495
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC NameN'-(3-chlorophenyl)cyclohexanecarbohydrazide
SMILESO=C(NNc1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C13H17ClN2O/c14-11-7-4-8-12(9-11)15-16-13(17)10-5-2-1-3-6-10/h4,7-10,15H,1-3,5-6H2,(H,16,17)
InChIKeyJJXLOUUHJTWKLK-UHFFFAOYSA-N
XLogP3.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)cyclohexanecarbohydrazide?
The IUPAC name of N'-(3-chlorophenyl)cyclohexanecarbohydrazide (CID 2812495) is N'-(3-chlorophenyl)cyclohexanecarbohydrazide.
What is the SMILES notation for N'-(3-chlorophenyl)cyclohexanecarbohydrazide?
The canonical SMILES for N'-(3-chlorophenyl)cyclohexanecarbohydrazide is O=C(NNc1cccc(Cl)c1)C1CCCCC1.
What is the InChIKey of N'-(3-chlorophenyl)cyclohexanecarbohydrazide?
The InChIKey is JJXLOUUHJTWKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-11-7-4-8-12(9-11)15-16-13(17)10-5-2-1-3-6-10/h4,7-10,15H,1-3,5-6H2,(H,16,17).
What are the key properties of N'-(3-chlorophenyl)cyclohexanecarbohydrazide?
N'-(3-chlorophenyl)cyclohexanecarbohydrazide has a molecular weight of 252.74 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)cyclohexanecarbohydrazide is sourced from PubChem (CID 2812495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).