[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine

C17H18Cl2N2 — CID 105210904

IUPAC[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine
SMILESNNC(Cc1ccc(Cl)c(Cl)c1)CC1Cc2ccccc21
InChIInChI=1S/C17H18Cl2N2/c18-16-6-5-11(8-17(16)19)7-14(21-20)10-13-9-12-3-1-2-4-15(12)13/h1-6,8,13-14,21H,7,9-10,20H2
InChIKeyMAFNXLYMKGOVNH-UHFFFAOYSA-N
MW321.25 g/mol
LogP4.10
Rot. Bonds5

About [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine (PubChem CID 105210904) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine
PubChem CID105210904
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine
SMILESNNC(Cc1ccc(Cl)c(Cl)c1)CC1Cc2ccccc21
InChIInChI=1S/C17H18Cl2N2/c18-16-6-5-11(8-17(16)19)7-14(21-20)10-13-9-12-3-1-2-4-15(12)13/h1-6,8,13-14,21H,7,9-10,20H2
InChIKeyMAFNXLYMKGOVNH-UHFFFAOYSA-N
XLogP4.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
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[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine
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[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(2,4-dichlorophenyl)propan-2-yl]hydrazine
CID 105200217
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,4-dichlorophenyl)ethyl]hydrazine
CID 105257179
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,4-dichlorophenyl)ethanamine
CID 81491836
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenylbutan-2-yl]hydrazine
CID 105205768
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxypentan-2-yl]hydrazine
CID 105267173
[1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl]hydrazine
CID 105195209
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propan-2-ylhydrazine
CID 105201338
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenoxybutan-2-yl]hydrazine
CID 105191501
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)nonan-2-ylhydrazine
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[1-(3,4-dichlorophenyl)-4-methylpentan-2-yl]hydrazine
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Frequently Asked Questions

What is the IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine (CID 105210904) is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine is NNC(Cc1ccc(Cl)c(Cl)c1)CC1Cc2ccccc21.
What is the InChIKey of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine?
The InChIKey is MAFNXLYMKGOVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c18-16-6-5-11(8-17(16)19)7-14(21-20)10-13-9-12-3-1-2-4-15(12)13/h1-6,8,13-14,21H,7,9-10,20H2.
What are the key properties of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine?
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine has a molecular weight of 321.25 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105210904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).