N-(2-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]propanediamide

C16H13Br2N3O2 — CID 3981811

IUPACN-(2-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)Nc1ccccc1Br)NN=Cc1cccc(Br)c1
InChIInChI=1S/C16H13Br2N3O2/c17-12-5-3-4-11(8-12)10-19-21-16(23)9-15(22)20-14-7-2-1-6-13(14)18/h1-8,10H,9H2,(H,20,22)(H,21,23)
InChIKeyILBJSKNBIDHGFJ-UHFFFAOYSA-N
MW439.11 g/mol
LogP3.69
Rot. Bonds5

About N-(2-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]propanediamide

N-(2-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]propanediamide (PubChem CID 3981811) has the molecular formula C16H13Br2N3O2 and a molecular weight of 439.11 g/mol. Its IUPAC name is N-(2-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]propanediamide
PubChem CID3981811
Molecular FormulaC16H13Br2N3O2
Molecular Weight439.11 g/mol
Exact Mass436.94
IUPAC NameN-(2-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)Nc1ccccc1Br)NN=Cc1cccc(Br)c1
InChIInChI=1S/C16H13Br2N3O2/c17-12-5-3-4-11(8-12)10-19-21-16(23)9-15(22)20-14-7-2-1-6-13(14)18/h1-8,10H,9H2,(H,20,22)(H,21,23)
InChIKeyILBJSKNBIDHGFJ-UHFFFAOYSA-N
XLogP3.69
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.11
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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'-(benzylideneamino)-N-(2-bromophenyl)propanediamide
CID 3998182
N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)propanediamide
CID 3398684
N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide
CID 3105341
N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide
CID 5334797
N'-[(3-bromophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 5139780
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 5457961
N'-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(2-bromophenyl)propanediamide
CID 5028132
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
N-(3-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide
CID 5190370
N-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5340905
N-(4-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide
CID 3309174

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]propanediamide?
The IUPAC name of N-(2-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]propanediamide (CID 3981811) is N-(2-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(2-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(2-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]propanediamide is O=C(CC(=O)Nc1ccccc1Br)NN=Cc1cccc(Br)c1.
What is the InChIKey of N-(2-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]propanediamide?
The InChIKey is ILBJSKNBIDHGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2N3O2/c17-12-5-3-4-11(8-12)10-19-21-16(23)9-15(22)20-14-7-2-1-6-13(14)18/h1-8,10H,9H2,(H,20,22)(H,21,23).
What are the key properties of N-(2-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]propanediamide?
N-(2-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]propanediamide has a molecular weight of 439.11 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]propanediamide is sourced from PubChem (CID 3981811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).