2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetohydrazide

C13H18ClFN4O — CID 86681340

IUPAC2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetohydrazide
SMILESNNC(=O)CN1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C13H18ClFN4O/c14-11-2-1-3-12(15)10(11)8-18-4-6-19(7-5-18)9-13(20)17-16/h1-3H,4-9,16H2,(H,17,20)
InChIKeyMFOGRKKQRXZVAI-UHFFFAOYSA-N
MW300.76 g/mol
LogP0.59
Rot. Bonds4

About 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetohydrazide

2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetohydrazide (PubChem CID 86681340) has the molecular formula C13H18ClFN4O and a molecular weight of 300.76 g/mol. Its IUPAC name is 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetohydrazide
PubChem CID86681340
Molecular FormulaC13H18ClFN4O
Molecular Weight300.76 g/mol
Exact Mass300.12
IUPAC Name2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetohydrazide
SMILESNNC(=O)CN1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C13H18ClFN4O/c14-11-2-1-3-12(15)10(11)8-18-4-6-19(7-5-18)9-13(20)17-16/h1-3H,4-9,16H2,(H,17,20)
InChIKeyMFOGRKKQRXZVAI-UHFFFAOYSA-N
XLogP0.59
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetohydrazide?
The IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetohydrazide (CID 86681340) is 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetohydrazide.
What is the SMILES notation for 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetohydrazide?
The canonical SMILES for 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetohydrazide is NNC(=O)CN1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetohydrazide?
The InChIKey is MFOGRKKQRXZVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN4O/c14-11-2-1-3-12(15)10(11)8-18-4-6-19(7-5-18)9-13(20)17-16/h1-3H,4-9,16H2,(H,17,20).
What are the key properties of 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetohydrazide?
2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetohydrazide has a molecular weight of 300.76 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetohydrazide is sourced from PubChem (CID 86681340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).