N'-(5-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)oxamide

C17H17ClN2O3 — CID 45000868

IUPACN'-(5-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C17H17ClN2O3/c1-3-23-14-8-6-13(7-9-14)19-16(21)17(22)20-15-10-12(18)5-4-11(15)2/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDWFIIDNKKFAENZ-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.62
Rot. Bonds4

About N'-(5-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)oxamide

N'-(5-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)oxamide (PubChem CID 45000868) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N'-(5-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)oxamide
PubChem CID45000868
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN'-(5-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C17H17ClN2O3/c1-3-23-14-8-6-13(7-9-14)19-16(21)17(22)20-15-10-12(18)5-4-11(15)2/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDWFIIDNKKFAENZ-UHFFFAOYSA-N
XLogP3.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109269044
2-(4-acetamidophenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 964612
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
N-(5-chloro-2-methylphenyl)-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109244724
N-(4-ethoxyphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108514530
N-(4-ethoxyphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108514438
N-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26800125
N'-(4-bromo-3-methylphenyl)-N-(4-ethoxyphenyl)oxamide
CID 108514525
N'-[(2,4-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 2244299
(2R)-N-(5-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494910
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 9494909
4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049620

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)oxamide?
The IUPAC name of N'-(5-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)oxamide (CID 45000868) is N'-(5-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)oxamide.
What is the SMILES notation for N'-(5-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)oxamide?
The canonical SMILES for N'-(5-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)oxamide is CCOc1ccc(NC(=O)C(=O)Nc2cc(Cl)ccc2C)cc1.
What is the InChIKey of N'-(5-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)oxamide?
The InChIKey is DWFIIDNKKFAENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-3-23-14-8-6-13(7-9-14)19-16(21)17(22)20-15-10-12(18)5-4-11(15)2/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(5-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)oxamide?
N'-(5-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)oxamide has a molecular weight of 332.79 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)oxamide is sourced from PubChem (CID 45000868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).