N'-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide

C17H17ClN2O3 — CID 2218090

IUPACN'-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O3/c1-23-15-7-5-12(6-8-15)9-10-19-16(21)17(22)20-14-4-2-3-13(18)11-14/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyYXMWWCIMPWCPNZ-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.65
Rot. Bonds5

About N'-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide

N'-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide (PubChem CID 2218090) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
PubChem CID2218090
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN'-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O3/c1-23-15-7-5-12(6-8-15)9-10-19-16(21)17(22)20-14-4-2-3-13(18)11-14/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyYXMWWCIMPWCPNZ-UHFFFAOYSA-N
XLogP2.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.65
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-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide (CID 2218090) is N'-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide is COc1ccc(CCNC(=O)C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N'-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The InChIKey is YXMWWCIMPWCPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-23-15-7-5-12(6-8-15)9-10-19-16(21)17(22)20-14-4-2-3-13(18)11-14/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
N'-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide has a molecular weight of 332.79 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 2218090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).