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

C18H19ClN2O3 — CID 2201159

IUPACN'-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-12-3-6-14(11-16(12)19)21-18(23)17(22)20-10-9-13-4-7-15(24-2)8-5-13/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyYTFDWGHUAFEEHJ-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.95
Rot. Bonds5

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

N'-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide (PubChem CID 2201159) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N'-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
PubChem CID2201159
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN'-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-12-3-6-14(11-16(12)19)21-18(23)17(22)20-10-9-13-4-7-15(24-2)8-5-13/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyYTFDWGHUAFEEHJ-UHFFFAOYSA-N
XLogP2.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.95
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-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide (CID 2201159) is N'-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide is COc1ccc(CCNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of N'-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The InChIKey is YTFDWGHUAFEEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12-3-6-14(11-16(12)19)21-18(23)17(22)20-10-9-13-4-7-15(24-2)8-5-13/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
N'-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide has a molecular weight of 346.81 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 2201159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).