1-butyl-1-[4-(3-chlorophenyl)phenyl]hydrazine

C16H19ClN2 — CID 134857617

IUPAC1-butyl-1-[4-(3-chlorophenyl)phenyl]hydrazine
SMILESCCCCN(N)c1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H19ClN2/c1-2-3-11-19(18)16-9-7-13(8-10-16)14-5-4-6-15(17)12-14/h4-10,12H,2-3,11,18H2,1H3
InChIKeyZGMCSGQONMVYRJ-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.49
Rot. Bonds5

About 1-butyl-1-[4-(3-chlorophenyl)phenyl]hydrazine

1-butyl-1-[4-(3-chlorophenyl)phenyl]hydrazine (PubChem CID 134857617) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 1-butyl-1-[4-(3-chlorophenyl)phenyl]hydrazine.

Molecular Properties

Compound Name1-butyl-1-[4-(3-chlorophenyl)phenyl]hydrazine
PubChem CID134857617
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name1-butyl-1-[4-(3-chlorophenyl)phenyl]hydrazine
SMILESCCCCN(N)c1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H19ClN2/c1-2-3-11-19(18)16-9-7-13(8-10-16)14-5-4-6-15(17)12-14/h4-10,12H,2-3,11,18H2,1H3
InChIKeyZGMCSGQONMVYRJ-UHFFFAOYSA-N
XLogP4.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.49
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-[4-(3-chlorophenyl)phenyl]hydrazine?
The IUPAC name of 1-butyl-1-[4-(3-chlorophenyl)phenyl]hydrazine (CID 134857617) is 1-butyl-1-[4-(3-chlorophenyl)phenyl]hydrazine.
What is the SMILES notation for 1-butyl-1-[4-(3-chlorophenyl)phenyl]hydrazine?
The canonical SMILES for 1-butyl-1-[4-(3-chlorophenyl)phenyl]hydrazine is CCCCN(N)c1ccc(-c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-butyl-1-[4-(3-chlorophenyl)phenyl]hydrazine?
The InChIKey is ZGMCSGQONMVYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-2-3-11-19(18)16-9-7-13(8-10-16)14-5-4-6-15(17)12-14/h4-10,12H,2-3,11,18H2,1H3.
What are the key properties of 1-butyl-1-[4-(3-chlorophenyl)phenyl]hydrazine?
1-butyl-1-[4-(3-chlorophenyl)phenyl]hydrazine has a molecular weight of 274.80 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-[4-(3-chlorophenyl)phenyl]hydrazine is sourced from PubChem (CID 134857617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).