N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]pentanediamide

C19H18F2N4O2 — CID 6888098

IUPACN,N'-bis[(E)-(4-fluorophenyl)methylideneamino]pentanediamide
SMILESO=C(CCCC(=O)N/N=C/c1ccc(F)cc1)N/N=C/c1ccc(F)cc1
InChIInChI=1S/C19H18F2N4O2/c20-16-8-4-14(5-9-16)12-22-24-18(26)2-1-3-19(27)25-23-13-15-6-10-17(21)11-7-15/h4-13H,1-3H2,(H,24,26)(H,25,27)/b22-12+,23-13+
InChIKeyXGLMBDGHMWBHMF-FWSOMWAYSA-N
MW372.38 g/mol
LogP2.74
Rot. Bonds8

About N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]pentanediamide

N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]pentanediamide (PubChem CID 6888098) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-(4-fluorophenyl)methylideneamino]pentanediamide
PubChem CID6888098
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC NameN,N'-bis[(E)-(4-fluorophenyl)methylideneamino]pentanediamide
SMILESO=C(CCCC(=O)N/N=C/c1ccc(F)cc1)N/N=C/c1ccc(F)cc1
InChIInChI=1S/C19H18F2N4O2/c20-16-8-4-14(5-9-16)12-22-24-18(26)2-1-3-19(27)25-23-13-15-6-10-17(21)11-7-15/h4-13H,1-3H2,(H,24,26)(H,25,27)/b22-12+,23-13+
InChIKeyXGLMBDGHMWBHMF-FWSOMWAYSA-N
XLogP2.74
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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,N'-bis[(E)-(4-fluorophenyl)methylideneamino]pentanediamide?
The IUPAC name of N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]pentanediamide (CID 6888098) is N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]pentanediamide.
What is the SMILES notation for N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]pentanediamide?
The canonical SMILES for N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]pentanediamide is O=C(CCCC(=O)N/N=C/c1ccc(F)cc1)N/N=C/c1ccc(F)cc1.
What is the InChIKey of N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]pentanediamide?
The InChIKey is XGLMBDGHMWBHMF-FWSOMWAYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c20-16-8-4-14(5-9-16)12-22-24-18(26)2-1-3-19(27)25-23-13-15-6-10-17(21)11-7-15/h4-13H,1-3H2,(H,24,26)(H,25,27)/b22-12+,23-13+.
What are the key properties of N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]pentanediamide?
N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]pentanediamide has a molecular weight of 372.38 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]pentanediamide is sourced from PubChem (CID 6888098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).