N'-(4-chlorophenyl)cyclobutanecarbohydrazide

C11H13ClN2O — CID 2812580

IUPACN'-(4-chlorophenyl)cyclobutanecarbohydrazide
SMILESO=C(NNc1ccc(Cl)cc1)C1CCC1
InChIInChI=1S/C11H13ClN2O/c12-9-4-6-10(7-5-9)13-14-11(15)8-2-1-3-8/h4-8,13H,1-3H2,(H,14,15)
InChIKeyDTFDVTSEFOHQHK-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.58
Rot. Bonds3

About N'-(4-chlorophenyl)cyclobutanecarbohydrazide

N'-(4-chlorophenyl)cyclobutanecarbohydrazide (PubChem CID 2812580) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is N'-(4-chlorophenyl)cyclobutanecarbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)cyclobutanecarbohydrazide
PubChem CID2812580
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC NameN'-(4-chlorophenyl)cyclobutanecarbohydrazide
SMILESO=C(NNc1ccc(Cl)cc1)C1CCC1
InChIInChI=1S/C11H13ClN2O/c12-9-4-6-10(7-5-9)13-14-11(15)8-2-1-3-8/h4-8,13H,1-3H2,(H,14,15)
InChIKeyDTFDVTSEFOHQHK-UHFFFAOYSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.58
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

N'-(2-fluorophenyl)cyclobutanecarbohydrazide
CID 2812151
N'-(2,5-dichlorophenyl)cyclobutanecarbohydrazide
CID 2811011
N'-(2,6-dichlorophenyl)cyclobutanecarbohydrazide
CID 2812889
N'-(3,5-dichlorophenyl)cyclobutanecarbohydrazide
CID 2813079
N'-(2,4-difluorophenyl)cyclobutanecarbohydrazide
CID 2812875
N'-(2,4,6-trichlorophenyl)cyclobutanecarbohydrazide
CID 2418684
Acetic Acid N'-(3,4-Dichlorophenyl)hydrazide
CID 612829
N'-(3-Chlorophenyl)acetohydrazide
CID 603541
N'-(3-chlorophenyl)cyclohexanecarbohydrazide
CID 2812495
Propanehydrazide, N2-(4-chlorophenyl)-
CID 588325
N'-(4-Chlorophenyl)acetohydrazide
CID 245209
N'-(2-Chlorophenyl)acetohydrazide
CID 289385

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)cyclobutanecarbohydrazide?
The IUPAC name of N'-(4-chlorophenyl)cyclobutanecarbohydrazide (CID 2812580) is N'-(4-chlorophenyl)cyclobutanecarbohydrazide.
What is the SMILES notation for N'-(4-chlorophenyl)cyclobutanecarbohydrazide?
The canonical SMILES for N'-(4-chlorophenyl)cyclobutanecarbohydrazide is O=C(NNc1ccc(Cl)cc1)C1CCC1.
What is the InChIKey of N'-(4-chlorophenyl)cyclobutanecarbohydrazide?
The InChIKey is DTFDVTSEFOHQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-9-4-6-10(7-5-9)13-14-11(15)8-2-1-3-8/h4-8,13H,1-3H2,(H,14,15).
What are the key properties of N'-(4-chlorophenyl)cyclobutanecarbohydrazide?
N'-(4-chlorophenyl)cyclobutanecarbohydrazide has a molecular weight of 224.69 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)cyclobutanecarbohydrazide is sourced from PubChem (CID 2812580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).