1-(2,3-dichlorophenyl)undecan-2-ylhydrazine

C17H28Cl2N2 — CID 107312866

IUPAC1-(2,3-dichlorophenyl)undecan-2-ylhydrazine
SMILESCCCCCCCCCC(Cc1cccc(Cl)c1Cl)NN
InChIInChI=1S/C17H28Cl2N2/c1-2-3-4-5-6-7-8-11-15(21-20)13-14-10-9-12-16(18)17(14)19/h9-10,12,15,21H,2-8,11,13,20H2,1H3
InChIKeyVJSHZOXHEQITOI-UHFFFAOYSA-N
MW331.33 g/mol
LogP5.51
Rot. Bonds11

About 1-(2,3-dichlorophenyl)undecan-2-ylhydrazine

1-(2,3-dichlorophenyl)undecan-2-ylhydrazine (PubChem CID 107312866) has the molecular formula C17H28Cl2N2 and a molecular weight of 331.33 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)undecan-2-ylhydrazine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)undecan-2-ylhydrazine
PubChem CID107312866
Molecular FormulaC17H28Cl2N2
Molecular Weight331.33 g/mol
Exact Mass330.16
IUPAC Name1-(2,3-dichlorophenyl)undecan-2-ylhydrazine
SMILESCCCCCCCCCC(Cc1cccc(Cl)c1Cl)NN
InChIInChI=1S/C17H28Cl2N2/c1-2-3-4-5-6-7-8-11-15(21-20)13-14-10-9-12-16(18)17(14)19/h9-10,12,15,21H,2-8,11,13,20H2,1H3
InChIKeyVJSHZOXHEQITOI-UHFFFAOYSA-N
XLogP5.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.33
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(2,5-dichlorophenyl)undecan-2-ylhydrazine
CID 105309812
1-(2,3-dichlorophenyl)heptan-2-ol
CID 107307492
1-(4-bromo-2-chlorophenyl)octan-2-ylhydrazine
CID 105335285
1-(2-chlorophenyl)-N-methyldodecan-2-amine
CID 63414970
[1-(2,3-dichlorophenyl)-4,4-dimethylpentan-2-yl]hydrazine
CID 107312642
1-(2-chlorophenyl)-N-methylundecan-2-amine
CID 63415015
1-(5-chloro-2-fluorophenyl)decan-2-ylhydrazine
CID 103053761
1-(5-chloro-2-fluorophenyl)octan-2-ylhydrazine
CID 103053822
1-(2,6-dimethylphenyl)decan-2-ylhydrazine
CID 105329203
1-(3-chloro-2-fluorophenyl)-N-methylundecan-2-amine
CID 82789169
1-(3-chloro-2-fluorophenyl)-N-methylheptan-2-amine
CID 82805674
1-(3,4-dichlorophenyl)heptan-2-ylhydrazine
CID 105210910

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)undecan-2-ylhydrazine?
The IUPAC name of 1-(2,3-dichlorophenyl)undecan-2-ylhydrazine (CID 107312866) is 1-(2,3-dichlorophenyl)undecan-2-ylhydrazine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)undecan-2-ylhydrazine?
The canonical SMILES for 1-(2,3-dichlorophenyl)undecan-2-ylhydrazine is CCCCCCCCCC(Cc1cccc(Cl)c1Cl)NN.
What is the InChIKey of 1-(2,3-dichlorophenyl)undecan-2-ylhydrazine?
The InChIKey is VJSHZOXHEQITOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28Cl2N2/c1-2-3-4-5-6-7-8-11-15(21-20)13-14-10-9-12-16(18)17(14)19/h9-10,12,15,21H,2-8,11,13,20H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)undecan-2-ylhydrazine?
1-(2,3-dichlorophenyl)undecan-2-ylhydrazine has a molecular weight of 331.33 g/mol, XLogP of 5.51, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)undecan-2-ylhydrazine is sourced from PubChem (CID 107312866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).