2-(2-chlorophenoxy)-N-[2-(furan-2-yl)ethyl]acetamide

C14H14ClNO3 — CID 18111286

IUPAC2-(2-chlorophenoxy)-N-[2-(furan-2-yl)ethyl]acetamide
SMILESO=C(COc1ccccc1Cl)NCCc1ccco1
InChIInChI=1S/C14H14ClNO3/c15-12-5-1-2-6-13(12)19-10-14(17)16-8-7-11-4-3-9-18-11/h1-6,9H,7-8,10H2,(H,16,17)
InChIKeyRBVHWZHBICOYRL-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.67
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-[2-(furan-2-yl)ethyl]acetamide

2-(2-chlorophenoxy)-N-[2-(furan-2-yl)ethyl]acetamide (PubChem CID 18111286) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[2-(furan-2-yl)ethyl]acetamide
PubChem CID18111286
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name2-(2-chlorophenoxy)-N-[2-(furan-2-yl)ethyl]acetamide
SMILESO=C(COc1ccccc1Cl)NCCc1ccco1
InChIInChI=1S/C14H14ClNO3/c15-12-5-1-2-6-13(12)19-10-14(17)16-8-7-11-4-3-9-18-11/h1-6,9H,7-8,10H2,(H,16,17)
InChIKeyRBVHWZHBICOYRL-UHFFFAOYSA-N
XLogP2.67
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[2-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[2-(furan-2-yl)ethyl]acetamide (CID 18111286) is 2-(2-chlorophenoxy)-N-[2-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-(furan-2-yl)ethyl]acetamide is O=C(COc1ccccc1Cl)NCCc1ccco1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-(furan-2-yl)ethyl]acetamide?
The InChIKey is RBVHWZHBICOYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c15-12-5-1-2-6-13(12)19-10-14(17)16-8-7-11-4-3-9-18-11/h1-6,9H,7-8,10H2,(H,16,17).
What are the key properties of 2-(2-chlorophenoxy)-N-[2-(furan-2-yl)ethyl]acetamide?
2-(2-chlorophenoxy)-N-[2-(furan-2-yl)ethyl]acetamide has a molecular weight of 279.72 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[2-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 18111286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).