N'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide

C17H17ClN2O3 — CID 108984615

IUPACN'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCc2ccccc2C)cc1Cl
InChIInChI=1S/C17H17ClN2O3/c1-11-5-3-4-6-12(11)10-19-16(21)17(22)20-13-7-8-15(23-2)14(18)9-13/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyHXQPAXFAFCSNCY-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.91
Rot. Bonds4

About N'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide

N'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide (PubChem CID 108984615) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
PubChem CID108984615
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCc2ccccc2C)cc1Cl
InChIInChI=1S/C17H17ClN2O3/c1-11-5-3-4-6-12(11)10-19-16(21)17(22)20-13-7-8-15(23-2)14(18)9-13/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyHXQPAXFAFCSNCY-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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

N'-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 7585276
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998357
N'-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 7292696
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
N'-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2174354
N'-(2-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2223435
N'-(4-bromo-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 108531641
N'-(3-chloro-4-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide
CID 108985903
N-[(2-methylphenyl)methyl]-N'-phenyloxamide
CID 2174485
N-(3-chloro-4-methoxyphenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169710
ethyl 2-[[2-(3-chloro-4-methoxyanilino)-2-oxoacetyl]amino]benzoate
CID 108501132
N'-(2-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2174333

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide?
The IUPAC name of N'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide (CID 108984615) is N'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide is COc1ccc(NC(=O)C(=O)NCc2ccccc2C)cc1Cl.
What is the InChIKey of N'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide?
The InChIKey is HXQPAXFAFCSNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-11-5-3-4-6-12(11)10-19-16(21)17(22)20-13-7-8-15(23-2)14(18)9-13/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide?
N'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide has a molecular weight of 332.79 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide is sourced from PubChem (CID 108984615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).