N-[2-(2-chlorophenoxy)ethyl]-N'-(4-ethylphenyl)oxamide

C18H19ClN2O3 — CID 2293171

IUPACN-[2-(2-chlorophenoxy)ethyl]-N'-(4-ethylphenyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCCOc2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-2-13-7-9-14(10-8-13)21-18(23)17(22)20-11-12-24-16-6-4-3-5-15(16)19/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyQPBKGEMAKMTQHD-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.04
Rot. Bonds6

About N-[2-(2-chlorophenoxy)ethyl]-N'-(4-ethylphenyl)oxamide

N-[2-(2-chlorophenoxy)ethyl]-N'-(4-ethylphenyl)oxamide (PubChem CID 2293171) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-N'-(4-ethylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-N'-(4-ethylphenyl)oxamide
PubChem CID2293171
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-N'-(4-ethylphenyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCCOc2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-2-13-7-9-14(10-8-13)21-18(23)17(22)20-11-12-24-16-6-4-3-5-15(16)19/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyQPBKGEMAKMTQHD-UHFFFAOYSA-N
XLogP3.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N'-(4-ethylphenyl)oxamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N'-(4-ethylphenyl)oxamide (CID 2293171) is N-[2-(2-chlorophenoxy)ethyl]-N'-(4-ethylphenyl)oxamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-N'-(4-ethylphenyl)oxamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-N'-(4-ethylphenyl)oxamide is CCc1ccc(NC(=O)C(=O)NCCOc2ccccc2Cl)cc1.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-N'-(4-ethylphenyl)oxamide?
The InChIKey is QPBKGEMAKMTQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-2-13-7-9-14(10-8-13)21-18(23)17(22)20-11-12-24-16-6-4-3-5-15(16)19/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-N'-(4-ethylphenyl)oxamide?
N-[2-(2-chlorophenoxy)ethyl]-N'-(4-ethylphenyl)oxamide has a molecular weight of 346.81 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-N'-(4-ethylphenyl)oxamide is sourced from PubChem (CID 2293171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).