N-(3-hydroxyphenyl)-N'-(2,3,5,6-tetrachlorophenyl)oxamide

C14H8Cl4N2O3 — CID 10250012

IUPACN-(3-hydroxyphenyl)-N'-(2,3,5,6-tetrachlorophenyl)oxamide
SMILESO=C(Nc1cccc(O)c1)C(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C14H8Cl4N2O3/c15-8-5-9(16)11(18)12(10(8)17)20-14(23)13(22)19-6-2-1-3-7(21)4-6/h1-5,21H,(H,19,22)(H,20,23)
InChIKeyAJOXDAWTKDTNHE-UHFFFAOYSA-N
MW394.04 g/mol
LogP4.58
Rot. Bonds2

About N-(3-hydroxyphenyl)-N'-(2,3,5,6-tetrachlorophenyl)oxamide

N-(3-hydroxyphenyl)-N'-(2,3,5,6-tetrachlorophenyl)oxamide (PubChem CID 10250012) has the molecular formula C14H8Cl4N2O3 and a molecular weight of 394.04 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-N'-(2,3,5,6-tetrachlorophenyl)oxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-N'-(2,3,5,6-tetrachlorophenyl)oxamide
PubChem CID10250012
Molecular FormulaC14H8Cl4N2O3
Molecular Weight394.04 g/mol
Exact Mass391.93
IUPAC NameN-(3-hydroxyphenyl)-N'-(2,3,5,6-tetrachlorophenyl)oxamide
SMILESO=C(Nc1cccc(O)c1)C(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C14H8Cl4N2O3/c15-8-5-9(16)11(18)12(10(8)17)20-14(23)13(22)19-6-2-1-3-7(21)4-6/h1-5,21H,(H,19,22)(H,20,23)
InChIKeyAJOXDAWTKDTNHE-UHFFFAOYSA-N
XLogP4.58
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.04
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxyphenyl)-N'-(3-methylphenyl)oxamide
CID 10445826
N-(3-acetylphenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108515059
3-[(3-hydroxyphenyl)carbamoyl]but-3-enoic acid
CID 170337484
N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide
CID 45000278
N-cyclopentyl-N'-(3-hydroxyphenyl)oxamide
CID 44995644
N,N'-bis(3-hydroxyphenyl)but-2-enediamide
CID 754651
N-(3-hydroxyphenyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 44997307
N'-(2,5-dimethylphenyl)-N-(3-hydroxyphenyl)oxamide
CID 45000850
2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide
CID 78783752
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
1-amino-3-(3-hydroxyphenyl)urea
CID 23273555
3,6-dichloro-N-(3-hydroxyphenyl)pyridine-2-carboxamide
CID 60692218

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-N'-(2,3,5,6-tetrachlorophenyl)oxamide?
The IUPAC name of N-(3-hydroxyphenyl)-N'-(2,3,5,6-tetrachlorophenyl)oxamide (CID 10250012) is N-(3-hydroxyphenyl)-N'-(2,3,5,6-tetrachlorophenyl)oxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-N'-(2,3,5,6-tetrachlorophenyl)oxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-N'-(2,3,5,6-tetrachlorophenyl)oxamide is O=C(Nc1cccc(O)c1)C(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl.
What is the InChIKey of N-(3-hydroxyphenyl)-N'-(2,3,5,6-tetrachlorophenyl)oxamide?
The InChIKey is AJOXDAWTKDTNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl4N2O3/c15-8-5-9(16)11(18)12(10(8)17)20-14(23)13(22)19-6-2-1-3-7(21)4-6/h1-5,21H,(H,19,22)(H,20,23).
What are the key properties of N-(3-hydroxyphenyl)-N'-(2,3,5,6-tetrachlorophenyl)oxamide?
N-(3-hydroxyphenyl)-N'-(2,3,5,6-tetrachlorophenyl)oxamide has a molecular weight of 394.04 g/mol, XLogP of 4.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-N'-(2,3,5,6-tetrachlorophenyl)oxamide is sourced from PubChem (CID 10250012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).