4-[[2-(2,3-difluorophenyl)-4-ethylpiperazin-1-yl]methyl]-3-fluorobenzohydrazide

C20H23F3N4O — CID 134584398

IUPAC4-[[2-(2,3-difluorophenyl)-4-ethylpiperazin-1-yl]methyl]-3-fluorobenzohydrazide
SMILESCCN1CCN(Cc2ccc(C(=O)NN)cc2F)C(c2cccc(F)c2F)C1
InChIInChI=1S/C20H23F3N4O/c1-2-26-8-9-27(18(12-26)15-4-3-5-16(21)19(15)23)11-14-7-6-13(10-17(14)22)20(28)25-24/h3-7,10,18H,2,8-9,11-12,24H2,1H3,(H,25,28)
InChIKeyQCPPXGYBFHSNSZ-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.59
Rot. Bonds5

About 4-[[2-(2,3-difluorophenyl)-4-ethylpiperazin-1-yl]methyl]-3-fluorobenzohydrazide

4-[[2-(2,3-difluorophenyl)-4-ethylpiperazin-1-yl]methyl]-3-fluorobenzohydrazide (PubChem CID 134584398) has the molecular formula C20H23F3N4O and a molecular weight of 392.43 g/mol. Its IUPAC name is 4-[[2-(2,3-difluorophenyl)-4-ethylpiperazin-1-yl]methyl]-3-fluorobenzohydrazide.

Molecular Properties

Compound Name4-[[2-(2,3-difluorophenyl)-4-ethylpiperazin-1-yl]methyl]-3-fluorobenzohydrazide
PubChem CID134584398
Molecular FormulaC20H23F3N4O
Molecular Weight392.43 g/mol
Exact Mass392.18
IUPAC Name4-[[2-(2,3-difluorophenyl)-4-ethylpiperazin-1-yl]methyl]-3-fluorobenzohydrazide
SMILESCCN1CCN(Cc2ccc(C(=O)NN)cc2F)C(c2cccc(F)c2F)C1
InChIInChI=1S/C20H23F3N4O/c1-2-26-8-9-27(18(12-26)15-4-3-5-16(21)19(15)23)11-14-7-6-13(10-17(14)22)20(28)25-24/h3-7,10,18H,2,8-9,11-12,24H2,1H3,(H,25,28)
InChIKeyQCPPXGYBFHSNSZ-UHFFFAOYSA-N
XLogP2.59
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.59
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 4-[[2-(2,3-difluorophenyl)-4-ethylpiperazin-1-yl]methyl]-3-fluorobenzohydrazide?
The IUPAC name of 4-[[2-(2,3-difluorophenyl)-4-ethylpiperazin-1-yl]methyl]-3-fluorobenzohydrazide (CID 134584398) is 4-[[2-(2,3-difluorophenyl)-4-ethylpiperazin-1-yl]methyl]-3-fluorobenzohydrazide.
What is the SMILES notation for 4-[[2-(2,3-difluorophenyl)-4-ethylpiperazin-1-yl]methyl]-3-fluorobenzohydrazide?
The canonical SMILES for 4-[[2-(2,3-difluorophenyl)-4-ethylpiperazin-1-yl]methyl]-3-fluorobenzohydrazide is CCN1CCN(Cc2ccc(C(=O)NN)cc2F)C(c2cccc(F)c2F)C1.
What is the InChIKey of 4-[[2-(2,3-difluorophenyl)-4-ethylpiperazin-1-yl]methyl]-3-fluorobenzohydrazide?
The InChIKey is QCPPXGYBFHSNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O/c1-2-26-8-9-27(18(12-26)15-4-3-5-16(21)19(15)23)11-14-7-6-13(10-17(14)22)20(28)25-24/h3-7,10,18H,2,8-9,11-12,24H2,1H3,(H,25,28).
What are the key properties of 4-[[2-(2,3-difluorophenyl)-4-ethylpiperazin-1-yl]methyl]-3-fluorobenzohydrazide?
4-[[2-(2,3-difluorophenyl)-4-ethylpiperazin-1-yl]methyl]-3-fluorobenzohydrazide has a molecular weight of 392.43 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,3-difluorophenyl)-4-ethylpiperazin-1-yl]methyl]-3-fluorobenzohydrazide is sourced from PubChem (CID 134584398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).