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

C17H15Br2N3O3 — CID 3431926

IUPACN'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide
SMILESCC(C(=O)NN=Cc1cc(Br)ccc1O)C(=O)Nc1ccccc1Br
InChIInChI=1S/C17H15Br2N3O3/c1-10(16(24)21-14-5-3-2-4-13(14)19)17(25)22-20-9-11-8-12(18)6-7-15(11)23/h2-10,23H,1H3,(H,21,24)(H,22,25)
InChIKeyOYHBZGQNJOAUTE-UHFFFAOYSA-N
MW469.13 g/mol
LogP3.64
Rot. Bonds5

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

N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide (PubChem CID 3431926) has the molecular formula C17H15Br2N3O3 and a molecular weight of 469.13 g/mol. Its IUPAC name is N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide.

Molecular Properties

Compound NameN'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide
PubChem CID3431926
Molecular FormulaC17H15Br2N3O3
Molecular Weight469.13 g/mol
Exact Mass466.95
IUPAC NameN'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide
SMILESCC(C(=O)NN=Cc1cc(Br)ccc1O)C(=O)Nc1ccccc1Br
InChIInChI=1S/C17H15Br2N3O3/c1-10(16(24)21-14-5-3-2-4-13(14)19)17(25)22-20-9-11-8-12(18)6-7-15(11)23/h2-10,23H,1H3,(H,21,24)(H,22,25)
InChIKeyOYHBZGQNJOAUTE-UHFFFAOYSA-N
XLogP3.64
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.13
LogP ≤ 53.64
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'}

Analyze N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-(2-fluorophenyl)-2-methylpropanediamide
CID 135716679
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)propanediamide
CID 3398684
N-(2-bromophenyl)-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylpropanediamide
CID 3487671
N-(anthracen-9-ylmethylideneamino)-N'-(2-bromophenyl)-2-methylpropanediamide
CID 5224979
N-(2-bromophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]-2-methylpropanediamide
CID 4619867
2-bromo-N-[1-[2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 3939768
2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 4135115
N-(2-bromophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]-2-methylpropanediamide
CID 3874134
N-(2-bromophenyl)-2-methyl-N'-[(3,4,5-trimethoxyphenyl)methylideneamino]propanediamide
CID 4285375
2-benzamido-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 136677269
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide
CID 135615725
N'-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide
CID 5138662

Frequently Asked Questions

What is the IUPAC name of N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide?
The IUPAC name of N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide (CID 3431926) is N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide.
What is the SMILES notation for N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide?
The canonical SMILES for N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide is CC(C(=O)NN=Cc1cc(Br)ccc1O)C(=O)Nc1ccccc1Br.
What is the InChIKey of N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide?
The InChIKey is OYHBZGQNJOAUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br2N3O3/c1-10(16(24)21-14-5-3-2-4-13(14)19)17(25)22-20-9-11-8-12(18)6-7-15(11)23/h2-10,23H,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide?
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide has a molecular weight of 469.13 g/mol, XLogP of 3.64, 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)-2-methylpropanediamide is sourced from PubChem (CID 3431926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).