N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)propanediamide

C16H13Br2N3O3 — CID 3398684

IUPACN'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccccc1Br)NN=Cc1cc(Br)ccc1O
InChIInChI=1S/C16H13Br2N3O3/c17-11-5-6-14(22)10(7-11)9-19-21-16(24)8-15(23)20-13-4-2-1-3-12(13)18/h1-7,9,22H,8H2,(H,20,23)(H,21,24)
InChIKeyOSINXOPJOYZUOQ-UHFFFAOYSA-N
MW455.11 g/mol
LogP3.40
Rot. Bonds5

About N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)propanediamide

N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)propanediamide (PubChem CID 3398684) has the molecular formula C16H13Br2N3O3 and a molecular weight of 455.11 g/mol. Its IUPAC name is N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)propanediamide.

Molecular Properties

Compound NameN'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)propanediamide
PubChem CID3398684
Molecular FormulaC16H13Br2N3O3
Molecular Weight455.11 g/mol
Exact Mass452.93
IUPAC NameN'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccccc1Br)NN=Cc1cc(Br)ccc1O
InChIInChI=1S/C16H13Br2N3O3/c17-11-5-6-14(22)10(7-11)9-19-21-16(24)8-15(23)20-13-4-2-1-3-12(13)18/h1-7,9,22H,8H2,(H,20,23)(H,21,24)
InChIKeyOSINXOPJOYZUOQ-UHFFFAOYSA-N
XLogP3.40
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.11
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 135679783
N-(2-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]propanediamide
CID 3981811
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide
CID 3431926
N'-(benzylideneamino)-N-(2-bromophenyl)propanediamide
CID 3998182
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135419703
2-bromo-N-[2-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136720747
2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 4135115
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 135684236
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 135716005
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3297181
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-hydroxyphenoxy)acetamide
CID 136732387
1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 136870132

Frequently Asked Questions

What is the IUPAC name of N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)propanediamide?
The IUPAC name of N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)propanediamide (CID 3398684) is N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)propanediamide.
What is the SMILES notation for N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)propanediamide?
The canonical SMILES for N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)propanediamide is O=C(CC(=O)Nc1ccccc1Br)NN=Cc1cc(Br)ccc1O.
What is the InChIKey of N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)propanediamide?
The InChIKey is OSINXOPJOYZUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2N3O3/c17-11-5-6-14(22)10(7-11)9-19-21-16(24)8-15(23)20-13-4-2-1-3-12(13)18/h1-7,9,22H,8H2,(H,20,23)(H,21,24).
What are the key properties of N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)propanediamide?
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)propanediamide has a molecular weight of 455.11 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)propanediamide is sourced from PubChem (CID 3398684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).