N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)oxamide

C16H13BrClN3O3 — CID 136909048

IUPACN'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C\c2cc(Br)ccc2O)cc1Cl
InChIInChI=1S/C16H13BrClN3O3/c1-9-2-4-12(7-13(9)18)20-15(23)16(24)21-19-8-10-6-11(17)3-5-14(10)22/h2-8,22H,1H3,(H,20,23)(H,21,24)/b19-8-
InChIKeyLQKLWPCRSQUMPO-UWVJOHFNSA-N
MW410.66 g/mol
LogP3.21
Rot. Bonds3

About N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)oxamide

N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)oxamide (PubChem CID 136909048) has the molecular formula C16H13BrClN3O3 and a molecular weight of 410.66 g/mol. Its IUPAC name is N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)oxamide
PubChem CID136909048
Molecular FormulaC16H13BrClN3O3
Molecular Weight410.66 g/mol
Exact Mass408.98
IUPAC NameN'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C\c2cc(Br)ccc2O)cc1Cl
InChIInChI=1S/C16H13BrClN3O3/c1-9-2-4-12(7-13(9)18)20-15(23)16(24)21-19-8-10-6-11(17)3-5-14(10)22/h2-8,22H,1H3,(H,20,23)(H,21,24)/b19-8-
InChIKeyLQKLWPCRSQUMPO-UWVJOHFNSA-N
XLogP3.21
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.66
LogP ≤ 53.21
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-(4-acetamidophenyl)-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide
CID 135606590
N-(4-acetamidophenyl)-N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide
CID 4578192
N-(3-chloro-4-methylphenyl)-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 4596393
ethyl 4-[[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate
CID 136911270
N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813949
N'-[(Z)-[5-bromo-2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide
CID 126166689
N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 137129490
N-(3-chloro-4-methylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135684495
N'-[(Z)-[5-bromo-2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(2S)-butan-2-yl]oxamide
CID 126268636
N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 136672579
N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-methylsulfanylphenyl)methylideneamino]oxamide
CID 19660391

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)oxamide?
The IUPAC name of N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)oxamide (CID 136909048) is N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)oxamide?
The canonical SMILES for N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)N/N=C\c2cc(Br)ccc2O)cc1Cl.
What is the InChIKey of N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)oxamide?
The InChIKey is LQKLWPCRSQUMPO-UWVJOHFNSA-N. The full InChI is InChI=1S/C16H13BrClN3O3/c1-9-2-4-12(7-13(9)18)20-15(23)16(24)21-19-8-10-6-11(17)3-5-14(10)22/h2-8,22H,1H3,(H,20,23)(H,21,24)/b19-8-.
What are the key properties of N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)oxamide?
N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)oxamide has a molecular weight of 410.66 g/mol, XLogP of 3.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)oxamide is sourced from PubChem (CID 136909048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).