N-(2,3-dichlorophenyl)-N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide

C15H11Cl2N3O4 — CID 135616060

IUPACN-(2,3-dichlorophenyl)-N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H11Cl2N3O4/c16-10-2-1-3-11(13(10)17)19-14(23)15(24)20-18-7-8-4-5-9(21)6-12(8)22/h1-7,21-22H,(H,19,23)(H,20,24)/b18-7+
InChIKeyIKGXJSJPKYJPGY-CNHKJKLMSA-N
MW368.18 g/mol
LogP2.49
Rot. Bonds3

About N-(2,3-dichlorophenyl)-N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide

N-(2,3-dichlorophenyl)-N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide (PubChem CID 135616060) has the molecular formula C15H11Cl2N3O4 and a molecular weight of 368.18 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
PubChem CID135616060
Molecular FormulaC15H11Cl2N3O4
Molecular Weight368.18 g/mol
Exact Mass367.01
IUPAC NameN-(2,3-dichlorophenyl)-N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H11Cl2N3O4/c16-10-2-1-3-11(13(10)17)19-14(23)15(24)20-18-7-8-4-5-9(21)6-12(8)22/h1-7,21-22H,(H,19,23)(H,20,24)/b18-7+
InChIKeyIKGXJSJPKYJPGY-CNHKJKLMSA-N
XLogP2.49
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.18
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide (CID 135616060) is N-(2,3-dichlorophenyl)-N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide is O=C(N/N=C/c1ccc(O)cc1O)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide?
The InChIKey is IKGXJSJPKYJPGY-CNHKJKLMSA-N. The full InChI is InChI=1S/C15H11Cl2N3O4/c16-10-2-1-3-11(13(10)17)19-14(23)15(24)20-18-7-8-4-5-9(21)6-12(8)22/h1-7,21-22H,(H,19,23)(H,20,24)/b18-7+.
What are the key properties of N-(2,3-dichlorophenyl)-N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide?
N-(2,3-dichlorophenyl)-N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide has a molecular weight of 368.18 g/mol, XLogP of 2.49, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 135616060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).