N'-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide

C16H14Cl2N2O3 — CID 108503199

IUPACN'-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
SMILESO=C(NCCc1ccc(O)cc1)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H14Cl2N2O3/c17-12-2-1-3-13(18)14(12)20-16(23)15(22)19-9-8-10-4-6-11(21)7-5-10/h1-7,21H,8-9H2,(H,19,22)(H,20,23)
InChIKeyXJPTVMXXQZQOFJ-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.00
Rot. Bonds4

About N'-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide

N'-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide (PubChem CID 108503199) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is N'-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
PubChem CID108503199
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC NameN'-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
SMILESO=C(NCCc1ccc(O)cc1)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H14Cl2N2O3/c17-12-2-1-3-13(18)14(12)20-16(23)15(22)19-9-8-10-4-6-11(21)7-5-10/h1-7,21H,8-9H2,(H,19,22)(H,20,23)
InChIKeyXJPTVMXXQZQOFJ-UHFFFAOYSA-N
XLogP3.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-amino-2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503034
N-(3-chloropropyl)-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503020
N'-(5-chloro-2-methylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503009
N'-(3-chloro-2-methylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 7585286
1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108902007
N-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502974
N'-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108518293
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-N'-(2-chlorophenyl)oxamide
CID 16891452
N'-(3-chloro-2-methylphenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 16891528
N'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108501500
1-(2,6-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989685
N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)oxamide
CID 108500407

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
The IUPAC name of N'-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide (CID 108503199) is N'-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide is O=C(NCCc1ccc(O)cc1)C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N'-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
The InChIKey is XJPTVMXXQZQOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c17-12-2-1-3-13(18)14(12)20-16(23)15(22)19-9-8-10-4-6-11(21)7-5-10/h1-7,21H,8-9H2,(H,19,22)(H,20,23).
What are the key properties of N'-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
N'-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide has a molecular weight of 353.21 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide is sourced from PubChem (CID 108503199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).