N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-N'-(3,5-dichloro-2-hydroxyphenyl)oxamide

C15H10Cl4N2O4 — CID 11293160

IUPACN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-N'-(3,5-dichloro-2-hydroxyphenyl)oxamide
SMILESCc1c(Cl)cc(NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2O)c(O)c1Cl
InChIInChI=1S/C15H10Cl4N2O4/c1-5-7(17)4-10(13(23)11(5)19)21-15(25)14(24)20-9-3-6(16)2-8(18)12(9)22/h2-4,22-23H,1H3,(H,20,24)(H,21,25)
InChIKeyUZNKTMHHFGCQDH-UHFFFAOYSA-N
MW424.07 g/mol
LogP4.60
Rot. Bonds2

About N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-N'-(3,5-dichloro-2-hydroxyphenyl)oxamide

N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-N'-(3,5-dichloro-2-hydroxyphenyl)oxamide (PubChem CID 11293160) has the molecular formula C15H10Cl4N2O4 and a molecular weight of 424.07 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-N'-(3,5-dichloro-2-hydroxyphenyl)oxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-N'-(3,5-dichloro-2-hydroxyphenyl)oxamide
PubChem CID11293160
Molecular FormulaC15H10Cl4N2O4
Molecular Weight424.07 g/mol
Exact Mass421.94
IUPAC NameN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-N'-(3,5-dichloro-2-hydroxyphenyl)oxamide
SMILESCc1c(Cl)cc(NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2O)c(O)c1Cl
InChIInChI=1S/C15H10Cl4N2O4/c1-5-7(17)4-10(13(23)11(5)19)21-15(25)14(24)20-9-3-6(16)2-8(18)12(9)22/h2-4,22-23H,1H3,(H,20,24)(H,21,25)
InChIKeyUZNKTMHHFGCQDH-UHFFFAOYSA-N
XLogP4.60
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.07
LogP ≤ 54.60
H-Bond Donors ≤ 54
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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Related Compounds

N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-methylprop-2-enamide
CID 4110221
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide
CID 59817322
N-(3,5-dichloro-2-hydroxyphenyl)-N'-(2-hydroxy-6-methylphenyl)oxamide
CID 11416940
1-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-[[(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamoylamino]methyl]urea
CID 58828937
ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
CID 102371943
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide
CID 19093274
N-(3,5-dichloro-2-hydroxyphenyl)-N'-(3,5-dichloro-2-pyridinyl)oxamide
CID 11338414
(3,5-dichloro-2-hydroxy-4-methylphenyl)thiourea
CID 169359962
N-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
CID 103891250
N-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide
CID 107675698
N'-(3,5-dichloro-2-hydroxyphenyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)oxamide
CID 11750845
2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide
CID 21431939

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-N'-(3,5-dichloro-2-hydroxyphenyl)oxamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-N'-(3,5-dichloro-2-hydroxyphenyl)oxamide (CID 11293160) is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-N'-(3,5-dichloro-2-hydroxyphenyl)oxamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-N'-(3,5-dichloro-2-hydroxyphenyl)oxamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-N'-(3,5-dichloro-2-hydroxyphenyl)oxamide is Cc1c(Cl)cc(NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2O)c(O)c1Cl.
What is the InChIKey of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-N'-(3,5-dichloro-2-hydroxyphenyl)oxamide?
The InChIKey is UZNKTMHHFGCQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl4N2O4/c1-5-7(17)4-10(13(23)11(5)19)21-15(25)14(24)20-9-3-6(16)2-8(18)12(9)22/h2-4,22-23H,1H3,(H,20,24)(H,21,25).
What are the key properties of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-N'-(3,5-dichloro-2-hydroxyphenyl)oxamide?
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-N'-(3,5-dichloro-2-hydroxyphenyl)oxamide has a molecular weight of 424.07 g/mol, XLogP of 4.60, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-N'-(3,5-dichloro-2-hydroxyphenyl)oxamide is sourced from PubChem (CID 11293160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).