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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Related Compounds

4-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)butanamide
CID 2477739
N-(furan-2-ylmethyl)-2-quinoxalin-6-yloxyacetamide
CID 51362583
2-(3-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112977702
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 51141583
2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 17032106
methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzoate
CID 7671527
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9079933
2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2707681
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 8631551
(2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol
CID 41300610

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).