2-(2-acetyl-4-fluorophenoxy)-N-(furan-2-ylmethyl)acetamide

C15H14FNO4 — CID 112774601

IUPAC2-(2-acetyl-4-fluorophenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)c1cc(F)ccc1OCC(=O)NCc1ccco1
InChIInChI=1S/C15H14FNO4/c1-10(18)13-7-11(16)4-5-14(13)21-9-15(19)17-8-12-3-2-6-20-12/h2-7H,8-9H2,1H3,(H,17,19)
InChIKeyPFMYWRXYZHGDGB-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.32
Rot. Bonds6

About 2-(2-acetyl-4-fluorophenoxy)-N-(furan-2-ylmethyl)acetamide

2-(2-acetyl-4-fluorophenoxy)-N-(furan-2-ylmethyl)acetamide (PubChem CID 112774601) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-(2-acetyl-4-fluorophenoxy)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-fluorophenoxy)-N-(furan-2-ylmethyl)acetamide
PubChem CID112774601
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Name2-(2-acetyl-4-fluorophenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)c1cc(F)ccc1OCC(=O)NCc1ccco1
InChIInChI=1S/C15H14FNO4/c1-10(18)13-7-11(16)4-5-14(13)21-9-15(19)17-8-12-3-2-6-20-12/h2-7H,8-9H2,1H3,(H,17,19)
InChIKeyPFMYWRXYZHGDGB-UHFFFAOYSA-N
XLogP2.32
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide
CID 71628000
2-(2-acetyl-4-fluorophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 17401947
2-(2-acetyl-4-fluorophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 112771182
2-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-N-(3-methylsulfanylphenyl)benzamide
CID 100818248
3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-2-methylbenzoic acid
CID 82810339
2-(4-bromo-2-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 7721428
2-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide
CID 9081252
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837303
2-(2-acetyl-4-fluorophenoxy)-N-(cyclohexylmethyl)acetamide
CID 112774632
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2714972
3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55847820
2-(3-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112977702

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-N-(furan-2-ylmethyl)acetamide (CID 112774601) is 2-(2-acetyl-4-fluorophenoxy)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-4-fluorophenoxy)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-acetyl-4-fluorophenoxy)-N-(furan-2-ylmethyl)acetamide is CC(=O)c1cc(F)ccc1OCC(=O)NCc1ccco1.
What is the InChIKey of 2-(2-acetyl-4-fluorophenoxy)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is PFMYWRXYZHGDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-10(18)13-7-11(16)4-5-14(13)21-9-15(19)17-8-12-3-2-6-20-12/h2-7H,8-9H2,1H3,(H,17,19).
What are the key properties of 2-(2-acetyl-4-fluorophenoxy)-N-(furan-2-ylmethyl)acetamide?
2-(2-acetyl-4-fluorophenoxy)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 291.28 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-fluorophenoxy)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 112774601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).