N,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide

C24H28F2N4O2 — CID 4172268

IUPACN,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide
SMILESCC(=NNC(=O)CCCCCCC(=O)NN=C(C)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H28F2N4O2/c1-17(19-9-13-21(25)14-10-19)27-29-23(31)7-5-3-4-6-8-24(32)30-28-18(2)20-11-15-22(26)16-12-20/h9-16H,3-8H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyFQRKPHYBNKZLCG-UHFFFAOYSA-N
MW442.51 g/mol
LogP4.69
Rot. Bonds11

About N,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide

N,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide (PubChem CID 4172268) has the molecular formula C24H28F2N4O2 and a molecular weight of 442.51 g/mol. Its IUPAC name is N,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide.

Molecular Properties

Compound NameN,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide
PubChem CID4172268
Molecular FormulaC24H28F2N4O2
Molecular Weight442.51 g/mol
Exact Mass442.22
IUPAC NameN,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide
SMILESCC(=NNC(=O)CCCCCCC(=O)NN=C(C)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H28F2N4O2/c1-17(19-9-13-21(25)14-10-19)27-29-23(31)7-5-3-4-6-8-24(32)30-28-18(2)20-11-15-22(26)16-12-20/h9-16H,3-8H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyFQRKPHYBNKZLCG-UHFFFAOYSA-N
XLogP4.69
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide
CID 136878224
N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide
CID 4582452
N,N'-bis[1-(4-aminophenyl)ethylideneamino]octanediamide
CID 4586480
N,N'-bis(1-phenylethylideneamino)octanediamide
CID 4517497
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide
CID 3411990
N,N'-bis[1-(4-ethylphenyl)ethylideneamino]hexanediamide
CID 3720428
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 6022107
N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide
CID 6177715
N,N'-bis[1-(4-nitrophenyl)ethylideneamino]nonanediamide
CID 4631339
N-[1-(4-ethylphenyl)ethylideneamino]heptanamide
CID 3659452
N,N'-bis[1-(4-nitrophenyl)ethylideneamino]decanediamide
CID 4631654
N-[1-(4-ethylphenyl)ethylideneamino]nonanamide
CID 4685925

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide?
The IUPAC name of N,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide (CID 4172268) is N,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide.
What is the SMILES notation for N,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide?
The canonical SMILES for N,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide is CC(=NNC(=O)CCCCCCC(=O)NN=C(C)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of N,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide?
The InChIKey is FQRKPHYBNKZLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N4O2/c1-17(19-9-13-21(25)14-10-19)27-29-23(31)7-5-3-4-6-8-24(32)30-28-18(2)20-11-15-22(26)16-12-20/h9-16H,3-8H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of N,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide?
N,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide has a molecular weight of 442.51 g/mol, XLogP of 4.69, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide is sourced from PubChem (CID 4172268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).