N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide

C16H15ClN2O3 — CID 2281328

IUPACN'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O3/c1-22-14-8-2-11(3-9-14)10-18-15(20)16(21)19-13-6-4-12(17)5-7-13/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyVZRAFJUINASYHA-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.60
Rot. Bonds4

About N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide

N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide (PubChem CID 2281328) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide
PubChem CID2281328
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC NameN'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O3/c1-22-14-8-2-11(3-9-14)10-18-15(20)16(21)19-13-6-4-12(17)5-7-13/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyVZRAFJUINASYHA-UHFFFAOYSA-N
XLogP2.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide (CID 2281328) is N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide is COc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide?
The InChIKey is VZRAFJUINASYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-22-14-8-2-11(3-9-14)10-18-15(20)16(21)19-13-6-4-12(17)5-7-13/h2-9H,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide?
N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide has a molecular weight of 318.76 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 2281328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).