N-(3-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide

C18H17Br2N3O2 — CID 5190370

IUPACN-(3-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide
SMILESO=C(CCCC(=O)Nc1cccc(Br)c1)NN=Cc1cccc(Br)c1
InChIInChI=1S/C18H17Br2N3O2/c19-14-5-1-4-13(10-14)12-21-23-18(25)9-3-8-17(24)22-16-7-2-6-15(20)11-16/h1-2,4-7,10-12H,3,8-9H2,(H,22,24)(H,23,25)
InChIKeyMJUUQUUXPZEEPT-UHFFFAOYSA-N
MW467.16 g/mol
LogP4.47
Rot. Bonds7

About N-(3-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide

N-(3-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide (PubChem CID 5190370) has the molecular formula C18H17Br2N3O2 and a molecular weight of 467.16 g/mol. Its IUPAC name is N-(3-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide
PubChem CID5190370
Molecular FormulaC18H17Br2N3O2
Molecular Weight467.16 g/mol
Exact Mass464.97
IUPAC NameN-(3-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide
SMILESO=C(CCCC(=O)Nc1cccc(Br)c1)NN=Cc1cccc(Br)c1
InChIInChI=1S/C18H17Br2N3O2/c19-14-5-1-4-13(10-14)12-21-23-18(25)9-3-8-17(24)22-16-7-2-6-15(20)11-16/h1-2,4-7,10-12H,3,8-9H2,(H,22,24)(H,23,25)
InChIKeyMJUUQUUXPZEEPT-UHFFFAOYSA-N
XLogP4.47
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.16
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

N-(4-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide
CID 3309174
N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide
CID 3105341
N-(3-bromophenyl)-N'-[(E)-(3-phenoxyphenyl)methylideneamino]butanediamide
CID 6874211
4-anilino-N-[(E)-(3-bromophenyl)methylideneamino]butanamide
CID 5331391
N-(3-bromophenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]pentanediamide
CID 126166086
N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-methylhexanediamide
CID 6056765
N-(3-bromophenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]pentanediamide
CID 126157759
N'-(anthracen-9-ylmethylideneamino)-N-(3-bromophenyl)pentanediamide
CID 4997402
N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide
CID 5334797
N-(3-bromophenyl)-N'-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]pentanediamide
CID 135796257
N'-[(3-bromophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 5139780

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide?
The IUPAC name of N-(3-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide (CID 5190370) is N-(3-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide.
What is the SMILES notation for N-(3-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide?
The canonical SMILES for N-(3-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide is O=C(CCCC(=O)Nc1cccc(Br)c1)NN=Cc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide?
The InChIKey is MJUUQUUXPZEEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Br2N3O2/c19-14-5-1-4-13(10-14)12-21-23-18(25)9-3-8-17(24)22-16-7-2-6-15(20)11-16/h1-2,4-7,10-12H,3,8-9H2,(H,22,24)(H,23,25).
What are the key properties of N-(3-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide?
N-(3-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide has a molecular weight of 467.16 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide is sourced from PubChem (CID 5190370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).