N-(4-carbamoylphenyl)-N'-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide

C16H12Br2N4O4 — CID 4123136

IUPACN-(4-carbamoylphenyl)-N'-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide
SMILESNC(=O)c1ccc(NC(=O)C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C16H12Br2N4O4/c17-10-5-9(13(23)12(18)6-10)7-20-22-16(26)15(25)21-11-3-1-8(2-4-11)14(19)24/h1-7,23H,(H2,19,24)(H,21,25)(H,22,26)
InChIKeyIIPUGCPUHJYQIJ-UHFFFAOYSA-N
MW484.10 g/mol
LogP2.10
Rot. Bonds4

About N-(4-carbamoylphenyl)-N'-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide

N-(4-carbamoylphenyl)-N'-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide (PubChem CID 4123136) has the molecular formula C16H12Br2N4O4 and a molecular weight of 484.10 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-N'-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-N'-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide
PubChem CID4123136
Molecular FormulaC16H12Br2N4O4
Molecular Weight484.10 g/mol
Exact Mass481.92
IUPAC NameN-(4-carbamoylphenyl)-N'-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide
SMILESNC(=O)c1ccc(NC(=O)C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C16H12Br2N4O4/c17-10-5-9(13(23)12(18)6-10)7-20-22-16(26)15(25)21-11-3-1-8(2-4-11)14(19)24/h1-7,23H,(H2,19,24)(H,21,25)(H,22,26)
InChIKeyIIPUGCPUHJYQIJ-UHFFFAOYSA-N
XLogP2.10
TPSA133.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.10
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-(4-bromophenyl)-N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide
CID 135554311
N-(4-carbamoylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 135685457
N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-carbamoylphenyl)oxamide
CID 135554209
N-(4-carbamoylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 19660758
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 135460589
N-(4-carbamoylphenyl)-N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide
CID 19660036
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-(4-carbamoylphenyl)-N'-[(E)-(2,3-dichlorophenyl)methylideneamino]oxamide
CID 19661193
N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-[(2-phenylacetyl)amino]benzamide
CID 137062419
ethyl 4-[[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate
CID 136911270
4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 2789144

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-N'-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-carbamoylphenyl)-N'-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide (CID 4123136) is N-(4-carbamoylphenyl)-N'-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-N'-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-N'-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide is NC(=O)c1ccc(NC(=O)C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-N'-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide?
The InChIKey is IIPUGCPUHJYQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N4O4/c17-10-5-9(13(23)12(18)6-10)7-20-22-16(26)15(25)21-11-3-1-8(2-4-11)14(19)24/h1-7,23H,(H2,19,24)(H,21,25)(H,22,26).
What are the key properties of N-(4-carbamoylphenyl)-N'-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide?
N-(4-carbamoylphenyl)-N'-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide has a molecular weight of 484.10 g/mol, XLogP of 2.10, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-N'-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 4123136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).