N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide

C23H26Br2N4O2 — CID 4582452

IUPACN,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide
SMILESCC(=NNC(=O)CCCCCC(=O)NN=C(C)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C23H26Br2N4O2/c1-16(18-8-12-20(24)13-9-18)26-28-22(30)6-4-3-5-7-23(31)29-27-17(2)19-10-14-21(25)15-11-19/h8-15H,3-7H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyJLNUZORDJQAAKZ-UHFFFAOYSA-N
MW550.30 g/mol
LogP5.54
Rot. Bonds10

About N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide

N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide (PubChem CID 4582452) has the molecular formula C23H26Br2N4O2 and a molecular weight of 550.30 g/mol. Its IUPAC name is N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide.

Molecular Properties

Compound NameN,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide
PubChem CID4582452
Molecular FormulaC23H26Br2N4O2
Molecular Weight550.30 g/mol
Exact Mass548.04
IUPAC NameN,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide
SMILESCC(=NNC(=O)CCCCCC(=O)NN=C(C)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C23H26Br2N4O2/c1-16(18-8-12-20(24)13-9-18)26-28-22(30)6-4-3-5-7-23(31)29-27-17(2)19-10-14-21(25)15-11-19/h8-15H,3-7H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyJLNUZORDJQAAKZ-UHFFFAOYSA-N
XLogP5.54
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.30
LogP ≤ 55.54
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-fluorophenyl)ethylideneamino]octanediamide
CID 4172268
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,N'-bis[1-(4-nitrophenyl)ethylideneamino]decanediamide
CID 4631654
N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide
CID 6177715
N-[1-(4-ethylphenyl)ethylideneamino]heptanamide
CID 3659452
N,N'-bis[1-(4-nitrophenyl)ethylideneamino]nonanediamide
CID 4631339
N-[1-(4-ethylphenyl)ethylideneamino]nonanamide
CID 4685925
N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide
CID 3558408

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide?
The IUPAC name of N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide (CID 4582452) is N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide.
What is the SMILES notation for N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide?
The canonical SMILES for N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide is CC(=NNC(=O)CCCCCC(=O)NN=C(C)c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide?
The InChIKey is JLNUZORDJQAAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Br2N4O2/c1-16(18-8-12-20(24)13-9-18)26-28-22(30)6-4-3-5-7-23(31)29-27-17(2)19-10-14-21(25)15-11-19/h8-15H,3-7H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide?
N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide has a molecular weight of 550.30 g/mol, XLogP of 5.54, 10 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-bromophenyl)ethylideneamino]heptanediamide is sourced from PubChem (CID 4582452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).