N-(3-chloro-4-methoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide

C16H15ClN2O4 — CID 108501242

IUPACN-(3-chloro-4-methoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
SMILESCOc1ccc(NC(=O)C(=O)N(C)c2ccc(O)cc2)cc1Cl
InChIInChI=1S/C16H15ClN2O4/c1-19(11-4-6-12(20)7-5-11)16(22)15(21)18-10-3-8-14(23-2)13(17)9-10/h3-9,20H,1-2H3,(H,18,21)
InChIKeyIBGPLMKNWAEGDY-UHFFFAOYSA-N
MW334.76 g/mol
LogP2.66
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide

N-(3-chloro-4-methoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide (PubChem CID 108501242) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
PubChem CID108501242
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
SMILESCOc1ccc(NC(=O)C(=O)N(C)c2ccc(O)cc2)cc1Cl
InChIInChI=1S/C16H15ClN2O4/c1-19(11-4-6-12(20)7-5-11)16(22)15(21)18-10-3-8-14(23-2)13(17)9-10/h3-9,20H,1-2H3,(H,18,21)
InChIKeyIBGPLMKNWAEGDY-UHFFFAOYSA-N
XLogP2.66
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108501268
N-(3-chloro-4-methoxyphenyl)-N',N'-bis(2-methoxyethyl)oxamide
CID 108501243
4-(3-chloro-4-methoxyanilino)phenol
CID 82537279
N-(3-chloro-4-methoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 51891778
N-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide
CID 108501263
N-(3-chloro-4-methoxyphenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 44999396
N'-(4-hydroxyphenyl)-N'-methyl-N-(4-nitrophenyl)oxamide
CID 108513177
N-(3-chloro-4-methoxyphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92664148
3-(3-chloro-4-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550580
N-[4-methoxy-3-(4-methoxy-1-methylpyrazol-5-yl)phenyl]-N'-methyl-N'-phenyloxamide
CID 68956095
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-methyl-N'-phenyloxamide
CID 108521016
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide (CID 108501242) is N-(3-chloro-4-methoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide is COc1ccc(NC(=O)C(=O)N(C)c2ccc(O)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide?
The InChIKey is IBGPLMKNWAEGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-19(11-4-6-12(20)7-5-11)16(22)15(21)18-10-3-8-14(23-2)13(17)9-10/h3-9,20H,1-2H3,(H,18,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide?
N-(3-chloro-4-methoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide has a molecular weight of 334.76 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide is sourced from PubChem (CID 108501242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).