5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide

C14H13Cl2NO3 — CID 103604079

IUPAC5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide
SMILESCN(CCOc1ccccc1Cl)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C14H13Cl2NO3/c1-17(14(18)12-6-7-13(16)20-12)8-9-19-11-5-3-2-4-10(11)15/h2-7H,8-9H2,1H3
InChIKeyQJQOXCWHMMAIOB-UHFFFAOYSA-N
MW314.17 g/mol
LogP3.74
Rot. Bonds5

About 5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide

5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide (PubChem CID 103604079) has the molecular formula C14H13Cl2NO3 and a molecular weight of 314.17 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide
PubChem CID103604079
Molecular FormulaC14H13Cl2NO3
Molecular Weight314.17 g/mol
Exact Mass313.03
IUPAC Name5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide
SMILESCN(CCOc1ccccc1Cl)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C14H13Cl2NO3/c1-17(14(18)12-6-7-13(16)20-12)8-9-19-11-5-3-2-4-10(11)15/h2-7H,8-9H2,1H3
InChIKeyQJQOXCWHMMAIOB-UHFFFAOYSA-N
XLogP3.74
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide (CID 103604079) is 5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide is CN(CCOc1ccccc1Cl)C(=O)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide?
The InChIKey is QJQOXCWHMMAIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3/c1-17(14(18)12-6-7-13(16)20-12)8-9-19-11-5-3-2-4-10(11)15/h2-7H,8-9H2,1H3.
What are the key properties of 5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide?
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide has a molecular weight of 314.17 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 103604079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).