1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide

C11H12Cl2N2O — CID 116844354

IUPAC1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide
SMILESNNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C11H12Cl2N2O/c12-8-3-2-7(6-9(8)13)11(4-1-5-11)10(16)15-14/h2-3,6H,1,4-5,14H2,(H,15,16)
InChIKeyUEFGAWRMXBPWQC-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.40
Rot. Bonds2

About 1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide

1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide (PubChem CID 116844354) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide
PubChem CID116844354
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide
SMILESNNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C11H12Cl2N2O/c12-8-3-2-7(6-9(8)13)11(4-1-5-11)10(16)15-14/h2-3,6H,1,4-5,14H2,(H,15,16)
InChIKeyUEFGAWRMXBPWQC-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclobutane-1-carboxamide
CID 111779691
1-(3,4-dichlorophenyl)-N-pyrimidin-2-ylcyclobutane-1-carboxamide
CID 122146724
N-(3-aminobutyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide
CID 119495916
N-(6-amino-3-pyridinyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide
CID 119515328
1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide
CID 116844264
1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide
CID 116844496
1-(4-ethylphenyl)cyclobutane-1-carbohydrazide
CID 116844257
1-(4-methylsulfanylphenyl)cyclobutane-1-carbohydrazide
CID 116844330
1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide
CID 116844402
1-(3,4-dihydro-2H-chromen-6-yl)cyclobutane-1-carbohydrazide
CID 116844327
1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carbohydrazide
CID 116844349
1-(3,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 120555393

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide?
The IUPAC name of 1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide (CID 116844354) is 1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide?
The canonical SMILES for 1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide is NNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide?
The InChIKey is UEFGAWRMXBPWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c12-8-3-2-7(6-9(8)13)11(4-1-5-11)10(16)15-14/h2-3,6H,1,4-5,14H2,(H,15,16).
What are the key properties of 1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide?
1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide has a molecular weight of 259.14 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide is sourced from PubChem (CID 116844354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).