N-(3,5-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide

C16H14Cl2N2O3 — CID 108515607

IUPACN-(3,5-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H14Cl2N2O3/c1-9-3-4-14(23-2)13(5-9)20-16(22)15(21)19-12-7-10(17)6-11(18)8-12/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyYATDBVKVXJSNNH-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.89
Rot. Bonds3

About N-(3,5-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide

N-(3,5-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide (PubChem CID 108515607) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
PubChem CID108515607
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC NameN-(3,5-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H14Cl2N2O3/c1-9-3-4-14(23-2)13(5-9)20-16(22)15(21)19-12-7-10(17)6-11(18)8-12/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyYATDBVKVXJSNNH-UHFFFAOYSA-N
XLogP3.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide (CID 108515607) is N-(3,5-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide is COc1ccc(C)cc1NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide?
The InChIKey is YATDBVKVXJSNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-9-3-4-14(23-2)13(5-9)20-16(22)15(21)19-12-7-10(17)6-11(18)8-12/h3-8H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(3,5-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide?
N-(3,5-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide has a molecular weight of 353.21 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide is sourced from PubChem (CID 108515607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).