N-[6-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide

C20H22FN3O2 — CID 6893419

IUPACN-[6-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide
SMILESO=C(CCCCCNC(=O)c1ccccc1)N/N=C/c1ccc(F)cc1
InChIInChI=1S/C20H22FN3O2/c21-18-12-10-16(11-13-18)15-23-24-19(25)9-5-2-6-14-22-20(26)17-7-3-1-4-8-17/h1,3-4,7-8,10-13,15H,2,5-6,9,14H2,(H,22,26)(H,24,25)/b23-15+
InChIKeyUFERPUHZBWBQIN-HZHRSRAPSA-N
MW355.41 g/mol
LogP3.27
Rot. Bonds9

About N-[6-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide

N-[6-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide (PubChem CID 6893419) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[6-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide.

Molecular Properties

Compound NameN-[6-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide
PubChem CID6893419
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-[6-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide
SMILESO=C(CCCCCNC(=O)c1ccccc1)N/N=C/c1ccc(F)cc1
InChIInChI=1S/C20H22FN3O2/c21-18-12-10-16(11-13-18)15-23-24-19(25)9-5-2-6-14-22-20(26)17-7-3-1-4-8-17/h1,3-4,7-8,10-13,15H,2,5-6,9,14H2,(H,22,26)(H,24,25)/b23-15+
InChIKeyUFERPUHZBWBQIN-HZHRSRAPSA-N
XLogP3.27
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 N-[6-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide?
The IUPAC name of N-[6-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide (CID 6893419) is N-[6-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide.
What is the SMILES notation for N-[6-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide?
The canonical SMILES for N-[6-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide is O=C(CCCCCNC(=O)c1ccccc1)N/N=C/c1ccc(F)cc1.
What is the InChIKey of N-[6-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide?
The InChIKey is UFERPUHZBWBQIN-HZHRSRAPSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-18-12-10-16(11-13-18)15-23-24-19(25)9-5-2-6-14-22-20(26)17-7-3-1-4-8-17/h1,3-4,7-8,10-13,15H,2,5-6,9,14H2,(H,22,26)(H,24,25)/b23-15+.
What are the key properties of N-[6-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide?
N-[6-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide has a molecular weight of 355.41 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide is sourced from PubChem (CID 6893419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).