(2-chloro-5-hexadecylphenyl)hydrazine

C22H39ClN2 — CID 57100450

IUPAC(2-chloro-5-hexadecylphenyl)hydrazine
SMILESCCCCCCCCCCCCCCCCc1ccc(Cl)c(NN)c1
InChIInChI=1S/C22H39ClN2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21(23)22(19-20)25-24/h17-19,25H,2-16,24H2,1H3
InChIKeyVUPKOGUUHVQACB-UHFFFAOYSA-N
MW367.02 g/mol
LogP7.65
Rot. Bonds16

About (2-chloro-5-hexadecylphenyl)hydrazine

(2-chloro-5-hexadecylphenyl)hydrazine (PubChem CID 57100450) has the molecular formula C22H39ClN2 and a molecular weight of 367.02 g/mol. Its IUPAC name is (2-chloro-5-hexadecylphenyl)hydrazine.

Molecular Properties

Compound Name(2-chloro-5-hexadecylphenyl)hydrazine
PubChem CID57100450
Molecular FormulaC22H39ClN2
Molecular Weight367.02 g/mol
Exact Mass366.28
IUPAC Name(2-chloro-5-hexadecylphenyl)hydrazine
SMILESCCCCCCCCCCCCCCCCc1ccc(Cl)c(NN)c1
InChIInChI=1S/C22H39ClN2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21(23)22(19-20)25-24/h17-19,25H,2-16,24H2,1H3
InChIKeyVUPKOGUUHVQACB-UHFFFAOYSA-N
XLogP7.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.02
LogP ≤ 57.65
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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Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-hexadecylphenyl)hydrazine?
The IUPAC name of (2-chloro-5-hexadecylphenyl)hydrazine (CID 57100450) is (2-chloro-5-hexadecylphenyl)hydrazine.
What is the SMILES notation for (2-chloro-5-hexadecylphenyl)hydrazine?
The canonical SMILES for (2-chloro-5-hexadecylphenyl)hydrazine is CCCCCCCCCCCCCCCCc1ccc(Cl)c(NN)c1.
What is the InChIKey of (2-chloro-5-hexadecylphenyl)hydrazine?
The InChIKey is VUPKOGUUHVQACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39ClN2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21(23)22(19-20)25-24/h17-19,25H,2-16,24H2,1H3.
What are the key properties of (2-chloro-5-hexadecylphenyl)hydrazine?
(2-chloro-5-hexadecylphenyl)hydrazine has a molecular weight of 367.02 g/mol, XLogP of 7.65, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-hexadecylphenyl)hydrazine is sourced from PubChem (CID 57100450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).