N,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]heptanediamide

C35H34Br2N4O4 — CID 6263316

IUPACN,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]heptanediamide
SMILESO=C(CCCCCC(=O)N/N=C\c1cc(Br)ccc1OCc1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C35H34Br2N4O4/c36-30-16-18-32(44-24-26-10-4-1-5-11-26)28(20-30)22-38-40-34(42)14-8-3-9-15-35(43)41-39-23-29-21-31(37)17-19-33(29)45-25-27-12-6-2-7-13-27/h1-2,4-7,10-13,16-23H,3,8-9,14-15,24-25H2,(H,40,42)(H,41,43)/b38-22-,39-23-
InChIKeySNRNQXRZLFDATH-RFSISCEKSA-N
MW734.49 g/mol
LogP7.92
Rot. Bonds16

About N,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]heptanediamide

N,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]heptanediamide (PubChem CID 6263316) has the molecular formula C35H34Br2N4O4 and a molecular weight of 734.49 g/mol. Its IUPAC name is N,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]heptanediamide.

Molecular Properties

Compound NameN,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]heptanediamide
PubChem CID6263316
Molecular FormulaC35H34Br2N4O4
Molecular Weight734.49 g/mol
Exact Mass732.09
IUPAC NameN,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]heptanediamide
SMILESO=C(CCCCCC(=O)N/N=C\c1cc(Br)ccc1OCc1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C35H34Br2N4O4/c36-30-16-18-32(44-24-26-10-4-1-5-11-26)28(20-30)22-38-40-34(42)14-8-3-9-15-35(43)41-39-23-29-21-31(37)17-19-33(29)45-25-27-12-6-2-7-13-27/h1-2,4-7,10-13,16-23H,3,8-9,14-15,24-25H2,(H,40,42)(H,41,43)/b38-22-,39-23-
InChIKeySNRNQXRZLFDATH-RFSISCEKSA-N
XLogP7.92
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.49
LogP ≤ 57.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]nonanediamide
CID 51062342
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 5415702
N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6089663
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657891
N,N'-bis[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]heptanediamide
CID 6021856
N,N'-bis[(5-bromo-2-propoxyphenyl)methylideneamino]heptanediamide
CID 4149823
N-[(E)-(5-bromo-2-octoxyphenyl)methylideneamino]-2-phenylacetamide
CID 124552591
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 7332805
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 51060625
N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 4260574
5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4080043
N-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3262456

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]heptanediamide?
The IUPAC name of N,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]heptanediamide (CID 6263316) is N,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]heptanediamide.
What is the SMILES notation for N,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]heptanediamide?
The canonical SMILES for N,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]heptanediamide is O=C(CCCCCC(=O)N/N=C\c1cc(Br)ccc1OCc1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of N,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]heptanediamide?
The InChIKey is SNRNQXRZLFDATH-RFSISCEKSA-N. The full InChI is InChI=1S/C35H34Br2N4O4/c36-30-16-18-32(44-24-26-10-4-1-5-11-26)28(20-30)22-38-40-34(42)14-8-3-9-15-35(43)41-39-23-29-21-31(37)17-19-33(29)45-25-27-12-6-2-7-13-27/h1-2,4-7,10-13,16-23H,3,8-9,14-15,24-25H2,(H,40,42)(H,41,43)/b38-22-,39-23-.
What are the key properties of N,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]heptanediamide?
N,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]heptanediamide has a molecular weight of 734.49 g/mol, XLogP of 7.92, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]heptanediamide is sourced from PubChem (CID 6263316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).