N-[(4-chlorophenyl)methyl]-N'-(3,4-dimethoxyphenyl)oxamide

C17H17ClN2O4 — CID 2985471

IUPACN-[(4-chlorophenyl)methyl]-N'-(3,4-dimethoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C17H17ClN2O4/c1-23-14-8-7-13(9-15(14)24-2)20-17(22)16(21)19-10-11-3-5-12(18)6-4-11/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyONERQUCIWKNSIE-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.61
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-N'-(3,4-dimethoxyphenyl)oxamide

N-[(4-chlorophenyl)methyl]-N'-(3,4-dimethoxyphenyl)oxamide (PubChem CID 2985471) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-(3,4-dimethoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-(3,4-dimethoxyphenyl)oxamide
PubChem CID2985471
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-(3,4-dimethoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C17H17ClN2O4/c1-23-14-8-7-13(9-15(14)24-2)20-17(22)16(21)19-10-11-3-5-12(18)6-4-11/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyONERQUCIWKNSIE-UHFFFAOYSA-N
XLogP2.61
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(4-chlorophenyl)methyl]-N'-(3,4-dimethoxyphenyl)oxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(3,4-dimethoxyphenyl)oxamide (CID 2985471) is N-[(4-chlorophenyl)methyl]-N'-(3,4-dimethoxyphenyl)oxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-(3,4-dimethoxyphenyl)oxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-(3,4-dimethoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-(3,4-dimethoxyphenyl)oxamide?
The InChIKey is ONERQUCIWKNSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-23-14-8-7-13(9-15(14)24-2)20-17(22)16(21)19-10-11-3-5-12(18)6-4-11/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-(3,4-dimethoxyphenyl)oxamide?
N-[(4-chlorophenyl)methyl]-N'-(3,4-dimethoxyphenyl)oxamide has a molecular weight of 348.79 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N'-(3,4-dimethoxyphenyl)oxamide is sourced from PubChem (CID 2985471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).