2-(2-fluorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide

C20H18FNO5 — CID 28676901

IUPAC2-(2-fluorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccccc1F
InChIInChI=1S/C20H18FNO5/c1-25-19-8-6-13(17-9-7-14(11-23)27-17)10-16(19)22-20(24)12-26-18-5-3-2-4-15(18)21/h2-10,23H,11-12H2,1H3,(H,22,24)
InChIKeyBCALSHFBNDBFOQ-UHFFFAOYSA-N
MW371.36 g/mol
LogP3.60
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide

2-(2-fluorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide (PubChem CID 28676901) has the molecular formula C20H18FNO5 and a molecular weight of 371.36 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide
PubChem CID28676901
Molecular FormulaC20H18FNO5
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name2-(2-fluorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccccc1F
InChIInChI=1S/C20H18FNO5/c1-25-19-8-6-13(17-9-7-14(11-23)27-17)10-16(19)22-20(24)12-26-18-5-3-2-4-15(18)21/h2-10,23H,11-12H2,1H3,(H,22,24)
InChIKeyBCALSHFBNDBFOQ-UHFFFAOYSA-N
XLogP3.60
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide (CID 28676901) is 2-(2-fluorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide is COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide?
The InChIKey is BCALSHFBNDBFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO5/c1-25-19-8-6-13(17-9-7-14(11-23)27-17)10-16(19)22-20(24)12-26-18-5-3-2-4-15(18)21/h2-10,23H,11-12H2,1H3,(H,22,24).
What are the key properties of 2-(2-fluorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide?
2-(2-fluorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide has a molecular weight of 371.36 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 28676901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).