N-(3,5-dichloro-2-hydroxyphenyl)-N'-(3,5-dichloro-2-pyridinyl)oxamide

C13H7Cl4N3O3 — CID 11338414

IUPACN-(3,5-dichloro-2-hydroxyphenyl)-N'-(3,5-dichloro-2-pyridinyl)oxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl4N3O3/c14-5-1-7(16)10(21)9(3-5)19-12(22)13(23)20-11-8(17)2-6(15)4-18-11/h1-4,21H,(H,19,22)(H,18,20,23)
InChIKeyVDEVTIFNBPUDRI-UHFFFAOYSA-N
MW395.03 g/mol
LogP3.98
Rot. Bonds2

About N-(3,5-dichloro-2-hydroxyphenyl)-N'-(3,5-dichloro-2-pyridinyl)oxamide

N-(3,5-dichloro-2-hydroxyphenyl)-N'-(3,5-dichloro-2-pyridinyl)oxamide (PubChem CID 11338414) has the molecular formula C13H7Cl4N3O3 and a molecular weight of 395.03 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxyphenyl)-N'-(3,5-dichloro-2-pyridinyl)oxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxyphenyl)-N'-(3,5-dichloro-2-pyridinyl)oxamide
PubChem CID11338414
Molecular FormulaC13H7Cl4N3O3
Molecular Weight395.03 g/mol
Exact Mass392.92
IUPAC NameN-(3,5-dichloro-2-hydroxyphenyl)-N'-(3,5-dichloro-2-pyridinyl)oxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl4N3O3/c14-5-1-7(16)10(21)9(3-5)19-12(22)13(23)20-11-8(17)2-6(15)4-18-11/h1-4,21H,(H,19,22)(H,18,20,23)
InChIKeyVDEVTIFNBPUDRI-UHFFFAOYSA-N
XLogP3.98
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.03
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-N'-(3,5-dichloro-2-pyridinyl)oxamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-N'-(3,5-dichloro-2-pyridinyl)oxamide (CID 11338414) is N-(3,5-dichloro-2-hydroxyphenyl)-N'-(3,5-dichloro-2-pyridinyl)oxamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxyphenyl)-N'-(3,5-dichloro-2-pyridinyl)oxamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxyphenyl)-N'-(3,5-dichloro-2-pyridinyl)oxamide is O=C(Nc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of N-(3,5-dichloro-2-hydroxyphenyl)-N'-(3,5-dichloro-2-pyridinyl)oxamide?
The InChIKey is VDEVTIFNBPUDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4N3O3/c14-5-1-7(16)10(21)9(3-5)19-12(22)13(23)20-11-8(17)2-6(15)4-18-11/h1-4,21H,(H,19,22)(H,18,20,23).
What are the key properties of N-(3,5-dichloro-2-hydroxyphenyl)-N'-(3,5-dichloro-2-pyridinyl)oxamide?
N-(3,5-dichloro-2-hydroxyphenyl)-N'-(3,5-dichloro-2-pyridinyl)oxamide has a molecular weight of 395.03 g/mol, XLogP of 3.98, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-hydroxyphenyl)-N'-(3,5-dichloro-2-pyridinyl)oxamide is sourced from PubChem (CID 11338414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).