N'-(4-chlorophenyl)propanehydrazide

C9H11ClN2O — CID 588325

IUPACN'-(4-chlorophenyl)propanehydrazide
SMILESCCC(=O)NNc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O/c1-2-9(13)12-11-8-5-3-7(10)4-6-8/h3-6,11H,2H2,1H3,(H,12,13)
InChIKeyYYLXCGVQXAFFAR-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.19
Rot. Bonds3

About N'-(4-chlorophenyl)propanehydrazide

N'-(4-chlorophenyl)propanehydrazide (PubChem CID 588325) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is N'-(4-chlorophenyl)propanehydrazide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)propanehydrazide
PubChem CID588325
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC NameN'-(4-chlorophenyl)propanehydrazide
SMILESCCC(=O)NNc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O/c1-2-9(13)12-11-8-5-3-7(10)4-6-8/h3-6,11H,2H2,1H3,(H,12,13)
InChIKeyYYLXCGVQXAFFAR-UHFFFAOYSA-N
XLogP2.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.19
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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Related Compounds

Acetylphenylhydrazine
CID 8247
Propionic acid phenylhydrazide
CID 88671
(4-Chlorophenyl)hydrazine
CID 70624
4-[(2-Chlorophenyl)hydrazo]-5-methyl-3-pyrazolone
CID 580840
N'-(4-chlorophenyl)cyclobutanecarbohydrazide
CID 2812580
N'-(3,5-dichlorophenyl)cyclobutanecarbohydrazide
CID 2813079
4-[(4-Chlorophenyl)hydrazo]-5-methyl-3-pyrazolone
CID 580841
Ethyl [2-(4-chlorophenyl)hydrazino](oxo)acetate
CID 3646150
N'-Phenylisobutyrohydrazide
CID 221396
Acetic acid, 2-(4-aminophenyl)hydrazide
CID 81068
Hydrazine, (4-chlorophenyl)-, hydrochloride (1:1)
CID 71600
(E)-N'-(4-chlorophenyl)-3-phenylprop-2-enehydrazide
CID 2517818

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)propanehydrazide?
The IUPAC name of N'-(4-chlorophenyl)propanehydrazide (CID 588325) is N'-(4-chlorophenyl)propanehydrazide.
What is the SMILES notation for N'-(4-chlorophenyl)propanehydrazide?
The canonical SMILES for N'-(4-chlorophenyl)propanehydrazide is CCC(=O)NNc1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)propanehydrazide?
The InChIKey is YYLXCGVQXAFFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-2-9(13)12-11-8-5-3-7(10)4-6-8/h3-6,11H,2H2,1H3,(H,12,13).
What are the key properties of N'-(4-chlorophenyl)propanehydrazide?
N'-(4-chlorophenyl)propanehydrazide has a molecular weight of 198.65 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)propanehydrazide is sourced from PubChem (CID 588325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).