N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide

C17H15Cl2N3O3 — CID 136672579

IUPACN'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C\c2cc(Cl)cc(Cl)c2O)cc1C
InChIInChI=1S/C17H15Cl2N3O3/c1-9-3-4-13(5-10(9)2)21-16(24)17(25)22-20-8-11-6-12(18)7-14(19)15(11)23/h3-8,23H,1-2H3,(H,21,24)(H,22,25)/b20-8-
InChIKeyOQGQMWMSZOJSGQ-ZBKNUEDVSA-N
MW380.23 g/mol
LogP3.40
Rot. Bonds3

About N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide

N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide (PubChem CID 136672579) has the molecular formula C17H15Cl2N3O3 and a molecular weight of 380.23 g/mol. Its IUPAC name is N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide
PubChem CID136672579
Molecular FormulaC17H15Cl2N3O3
Molecular Weight380.23 g/mol
Exact Mass379.05
IUPAC NameN'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C\c2cc(Cl)cc(Cl)c2O)cc1C
InChIInChI=1S/C17H15Cl2N3O3/c1-9-3-4-13(5-10(9)2)21-16(24)17(25)22-20-8-11-6-12(18)7-14(19)15(11)23/h3-8,23H,1-2H3,(H,21,24)(H,22,25)/b20-8-
InChIKeyOQGQMWMSZOJSGQ-ZBKNUEDVSA-N
XLogP3.40
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
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': '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-chloro-4-methylphenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136909047
N'-[(Z)-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 94836814
N-(3,4-dimethylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide
CID 3669810
N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 8990173
3-bromo-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 5196693
N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)oxamide
CID 136909048
N'-[(Z)-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 94836817
[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
CID 793144
N-[3-[[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide
CID 136774361
N-(5-chloro-2-methylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 56698653
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
N'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,5-dimethylphenyl)oxamide
CID 3426233

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide?
The IUPAC name of N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide (CID 136672579) is N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide?
The canonical SMILES for N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)N/N=C\c2cc(Cl)cc(Cl)c2O)cc1C.
What is the InChIKey of N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide?
The InChIKey is OQGQMWMSZOJSGQ-ZBKNUEDVSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3/c1-9-3-4-13(5-10(9)2)21-16(24)17(25)22-20-8-11-6-12(18)7-14(19)15(11)23/h3-8,23H,1-2H3,(H,21,24)(H,22,25)/b20-8-.
What are the key properties of N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide?
N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide has a molecular weight of 380.23 g/mol, XLogP of 3.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide is sourced from PubChem (CID 136672579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).