N-(3-chloro-4-methoxyphenyl)-N'-(2,4-dimethylphenyl)oxamide

C17H17ClN2O3 — CID 44999396

IUPACN-(3-chloro-4-methoxyphenyl)-N'-(2,4-dimethylphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)Nc2ccc(C)cc2C)cc1Cl
InChIInChI=1S/C17H17ClN2O3/c1-10-4-6-14(11(2)8-10)20-17(22)16(21)19-12-5-7-15(23-3)13(18)9-12/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyLHPLPNOKYUYEGX-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.54
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-N'-(2,4-dimethylphenyl)oxamide

N-(3-chloro-4-methoxyphenyl)-N'-(2,4-dimethylphenyl)oxamide (PubChem CID 44999396) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N'-(2,4-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N'-(2,4-dimethylphenyl)oxamide
PubChem CID44999396
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N'-(2,4-dimethylphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)Nc2ccc(C)cc2C)cc1Cl
InChIInChI=1S/C17H17ClN2O3/c1-10-4-6-14(11(2)8-10)20-17(22)16(21)19-12-5-7-15(23-3)13(18)9-12/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyLHPLPNOKYUYEGX-UHFFFAOYSA-N
XLogP3.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.54
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-(3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide
CID 9101796
N'-(2-chloro-4,6-dimethylphenyl)-N-(3-chloro-4-methoxyphenyl)oxamide
CID 108501287
1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea
CID 108991326
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
(E)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(2,4-dimethylphenyl)prop-2-enamide
CID 7969813
2-N-(3-chloro-4-methoxyphenyl)-1-N-(4-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143096
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide
CID 113172713
N-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide
CID 108501263
N-(3,5-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 108515607
N'-(2-chloro-4,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)oxamide
CID 108515624
N-(3-bromo-4-methylphenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108986806
ethyl 2-[[2-(3-chloro-4-methoxyanilino)-2-oxoacetyl]amino]benzoate
CID 108501132

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N'-(2,4-dimethylphenyl)oxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N'-(2,4-dimethylphenyl)oxamide (CID 44999396) is N-(3-chloro-4-methoxyphenyl)-N'-(2,4-dimethylphenyl)oxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N'-(2,4-dimethylphenyl)oxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N'-(2,4-dimethylphenyl)oxamide is COc1ccc(NC(=O)C(=O)Nc2ccc(C)cc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N'-(2,4-dimethylphenyl)oxamide?
The InChIKey is LHPLPNOKYUYEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-10-4-6-14(11(2)8-10)20-17(22)16(21)19-12-5-7-15(23-3)13(18)9-12/h4-9H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N'-(2,4-dimethylphenyl)oxamide?
N-(3-chloro-4-methoxyphenyl)-N'-(2,4-dimethylphenyl)oxamide has a molecular weight of 332.79 g/mol, XLogP of 3.54, 3 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'-(2,4-dimethylphenyl)oxamide is sourced from PubChem (CID 44999396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).