N'-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide

C17H16BrN3O3 — CID 135821347

IUPACN'-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(Br)c2)cc1C
InChIInChI=1S/C17H16BrN3O3/c1-10-3-5-13(7-11(10)2)20-16(23)17(24)21-19-9-12-4-6-15(22)14(18)8-12/h3-9,22H,1-2H3,(H,20,23)(H,21,24)/b19-9+
InChIKeyRTUCTMLULOMJBB-DJKKODMXSA-N
MW390.24 g/mol
LogP2.86
Rot. Bonds3

About N'-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide

N'-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide (PubChem CID 135821347) has the molecular formula C17H16BrN3O3 and a molecular weight of 390.24 g/mol. Its IUPAC name is N'-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide
PubChem CID135821347
Molecular FormulaC17H16BrN3O3
Molecular Weight390.24 g/mol
Exact Mass389.04
IUPAC NameN'-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(Br)c2)cc1C
InChIInChI=1S/C17H16BrN3O3/c1-10-3-5-13(7-11(10)2)20-16(23)17(24)21-19-9-12-4-6-15(22)14(18)8-12/h3-9,22H,1-2H3,(H,20,23)(H,21,24)/b19-9+
InChIKeyRTUCTMLULOMJBB-DJKKODMXSA-N
XLogP2.86
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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-(3,4-dimethylphenyl)-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 135756954
N-(3-chloro-4-methylphenyl)-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 4596393
5-[(Z)-[[2-(3,4-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-ethoxybenzoic acid
CID 8897558
1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 136822085
N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813949
N'-[(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 3300932
N-(3,4-dimethylphenyl)-N'-[(Z)-(3-ethoxyphenyl)methylideneamino]oxamide
CID 8932223
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
3-acetamido-N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 135842502
N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)oxamide
CID 136909048
N'-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 135716444
N'-[(Z)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126169306

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide?
The IUPAC name of N'-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide (CID 135821347) is N'-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide.
What is the SMILES notation for N'-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide?
The canonical SMILES for N'-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(Br)c2)cc1C.
What is the InChIKey of N'-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide?
The InChIKey is RTUCTMLULOMJBB-DJKKODMXSA-N. The full InChI is InChI=1S/C17H16BrN3O3/c1-10-3-5-13(7-11(10)2)20-16(23)17(24)21-19-9-12-4-6-15(22)14(18)8-12/h3-9,22H,1-2H3,(H,20,23)(H,21,24)/b19-9+.
What are the key properties of N'-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide?
N'-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide has a molecular weight of 390.24 g/mol, XLogP of 2.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide is sourced from PubChem (CID 135821347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).