2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide

C14H14ClNO3 — CID 692240

IUPAC2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESCc1cc(OCC(=O)NCc2ccco2)ccc1Cl
InChIInChI=1S/C14H14ClNO3/c1-10-7-11(4-5-13(10)15)19-9-14(17)16-8-12-3-2-6-18-12/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyOOSASIHFSXPJEE-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.94
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide (PubChem CID 692240) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide
PubChem CID692240
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESCc1cc(OCC(=O)NCc2ccco2)ccc1Cl
InChIInChI=1S/C14H14ClNO3/c1-10-7-11(4-5-13(10)15)19-9-14(17)16-8-12-3-2-6-18-12/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyOOSASIHFSXPJEE-UHFFFAOYSA-N
XLogP2.94
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide (CID 692240) is 2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide is Cc1cc(OCC(=O)NCc2ccco2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is OOSASIHFSXPJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-10-7-11(4-5-13(10)15)19-9-14(17)16-8-12-3-2-6-18-12/h2-7H,8-9H2,1H3,(H,16,17).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 279.72 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 692240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).