N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide

C18H16Br2N4O2 — CID 3105341

IUPACN,N'-bis[(3-bromophenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)NN=Cc1cccc(Br)c1)NN=Cc1cccc(Br)c1
InChIInChI=1S/C18H16Br2N4O2/c19-15-5-1-3-13(9-15)11-21-23-17(25)7-8-18(26)24-22-12-14-4-2-6-16(20)10-14/h1-6,9-12H,7-8H2,(H,23,25)(H,24,26)
InChIKeyAPNSYQHRHKOMDT-UHFFFAOYSA-N
MW480.16 g/mol
LogP3.59
Rot. Bonds7

About N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide

N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide (PubChem CID 3105341) has the molecular formula C18H16Br2N4O2 and a molecular weight of 480.16 g/mol. Its IUPAC name is N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN,N'-bis[(3-bromophenyl)methylideneamino]butanediamide
PubChem CID3105341
Molecular FormulaC18H16Br2N4O2
Molecular Weight480.16 g/mol
Exact Mass477.96
IUPAC NameN,N'-bis[(3-bromophenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)NN=Cc1cccc(Br)c1)NN=Cc1cccc(Br)c1
InChIInChI=1S/C18H16Br2N4O2/c19-15-5-1-3-13(9-15)11-21-23-17(25)7-8-18(26)24-22-12-14-4-2-6-16(20)10-14/h1-6,9-12H,7-8H2,(H,23,25)(H,24,26)
InChIKeyAPNSYQHRHKOMDT-UHFFFAOYSA-N
XLogP3.59
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.16
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide
CID 5334797
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-methylhexanediamide
CID 6056765
N-(3-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide
CID 5190370
N-(4-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide
CID 3309174
N-[(Z)-(3-bromophenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 6005980
4-anilino-N-[(E)-(3-bromophenyl)methylideneamino]butanamide
CID 5331391
N-[(E)-(3-bromophenyl)methylideneamino]-5-(4-methylphenyl)-4-oxopentanamide
CID 172928894
(4S)-N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide
CID 40650959
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
N-(2-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]propanediamide
CID 3981811
N-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5340905

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide?
The IUPAC name of N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide (CID 3105341) is N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide.
What is the SMILES notation for N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide?
The canonical SMILES for N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide is O=C(CCC(=O)NN=Cc1cccc(Br)c1)NN=Cc1cccc(Br)c1.
What is the InChIKey of N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide?
The InChIKey is APNSYQHRHKOMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br2N4O2/c19-15-5-1-3-13(9-15)11-21-23-17(25)7-8-18(26)24-22-12-14-4-2-6-16(20)10-14/h1-6,9-12H,7-8H2,(H,23,25)(H,24,26).
What are the key properties of N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide?
N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide has a molecular weight of 480.16 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide is sourced from PubChem (CID 3105341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).