[2-(4-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine

C15H24ClFN4 — CID 107895279

IUPAC[2-(4-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
SMILESCN1CCCN(C)C(C(Cc2ccc(Cl)c(F)c2)NN)C1
InChIInChI=1S/C15H24ClFN4/c1-20-6-3-7-21(2)15(10-20)14(19-18)9-11-4-5-12(16)13(17)8-11/h4-5,8,14-15,19H,3,6-7,9-10,18H2,1-2H3
InChIKeyBUCFGZNZOURUDI-UHFFFAOYSA-N
MW314.84 g/mol
LogP1.49
Rot. Bonds4

About [2-(4-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine

[2-(4-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine (PubChem CID 107895279) has the molecular formula C15H24ClFN4 and a molecular weight of 314.84 g/mol. Its IUPAC name is [2-(4-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
PubChem CID107895279
Molecular FormulaC15H24ClFN4
Molecular Weight314.84 g/mol
Exact Mass314.17
IUPAC Name[2-(4-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
SMILESCN1CCCN(C)C(C(Cc2ccc(Cl)c(F)c2)NN)C1
InChIInChI=1S/C15H24ClFN4/c1-20-6-3-7-21(2)15(10-20)14(19-18)9-11-4-5-12(16)13(17)8-11/h4-5,8,14-15,19H,3,6-7,9-10,18H2,1-2H3
InChIKeyBUCFGZNZOURUDI-UHFFFAOYSA-N
XLogP1.49
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[2-(3-chloro-4-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
CID 103044060
[2-(2,6-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
CID 105261363
[1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105261332
[2-(3,5-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105412951
2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658687
[2-(2,5-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105247218
2-(3,5-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine
CID 105406851
[2-(4-chloro-3-fluorophenyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 114013679
[2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105247302
[2-(4-chloro-3-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 107895103
[2-(4-bromothiophen-2-yl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
CID 105261330
2-(2-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine
CID 115983959

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine (CID 107895279) is [2-(4-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine is CN1CCCN(C)C(C(Cc2ccc(Cl)c(F)c2)NN)C1.
What is the InChIKey of [2-(4-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine?
The InChIKey is BUCFGZNZOURUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClFN4/c1-20-6-3-7-21(2)15(10-20)14(19-18)9-11-4-5-12(16)13(17)8-11/h4-5,8,14-15,19H,3,6-7,9-10,18H2,1-2H3.
What are the key properties of [2-(4-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine?
[2-(4-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine has a molecular weight of 314.84 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine is sourced from PubChem (CID 107895279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).