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

C18H19ClN2O2 — CID 2286950

IUPACN-[2-(4-chlorophenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C18H19ClN2O2/c1-12-3-8-16(11-13(12)2)21-18(23)17(22)20-10-9-14-4-6-15(19)7-5-14/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyYKNPZDFUNSBQJX-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.25
Rot. Bonds4

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

N-[2-(4-chlorophenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide (PubChem CID 2286950) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide
PubChem CID2286950
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C18H19ClN2O2/c1-12-3-8-16(11-13(12)2)21-18(23)17(22)20-10-9-14-4-6-15(19)7-5-14/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyYKNPZDFUNSBQJX-UHFFFAOYSA-N
XLogP3.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[2-(4-chlorophenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide (CID 2286950) is N-[2-(4-chlorophenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)cc1C.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide?
The InChIKey is YKNPZDFUNSBQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12-3-8-16(11-13(12)2)21-18(23)17(22)20-10-9-14-4-6-15(19)7-5-14/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide?
N-[2-(4-chlorophenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide has a molecular weight of 330.82 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide is sourced from PubChem (CID 2286950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).