2-(2,4-dichlorophenoxy)-N-(furan-2-ylmethyl)acetamide

C13H11Cl2NO3 — CID 644503

IUPAC2-(2,4-dichlorophenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCc1ccco1
InChIInChI=1S/C13H11Cl2NO3/c14-9-3-4-12(11(15)6-9)19-8-13(17)16-7-10-2-1-5-18-10/h1-6H,7-8H2,(H,16,17)
InChIKeyRKRCNHHERYWPCG-UHFFFAOYSA-N
MW300.14 g/mol
LogP3.28
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-(furan-2-ylmethyl)acetamide

2-(2,4-dichlorophenoxy)-N-(furan-2-ylmethyl)acetamide (PubChem CID 644503) has the molecular formula C13H11Cl2NO3 and a molecular weight of 300.14 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(furan-2-ylmethyl)acetamide
PubChem CID644503
Molecular FormulaC13H11Cl2NO3
Molecular Weight300.14 g/mol
Exact Mass299.01
IUPAC Name2-(2,4-dichlorophenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCc1ccco1
InChIInChI=1S/C13H11Cl2NO3/c14-9-3-4-12(11(15)6-9)19-8-13(17)16-7-10-2-1-5-18-10/h1-6H,7-8H2,(H,16,17)
InChIKeyRKRCNHHERYWPCG-UHFFFAOYSA-N
XLogP3.28
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(furan-2-ylmethyl)acetamide (CID 644503) is 2-(2,4-dichlorophenoxy)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(furan-2-ylmethyl)acetamide is O=C(COc1ccc(Cl)cc1Cl)NCc1ccco1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is RKRCNHHERYWPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3/c14-9-3-4-12(11(15)6-9)19-8-13(17)16-7-10-2-1-5-18-10/h1-6H,7-8H2,(H,16,17).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(furan-2-ylmethyl)acetamide?
2-(2,4-dichlorophenoxy)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 300.14 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 644503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).