3-fluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide

C19H16FNO4 — CID 28667547

IUPAC3-fluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide
SMILESCOc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C19H16FNO4/c1-24-18-7-5-12(17-8-6-15(11-22)25-17)10-16(18)21-19(23)13-3-2-4-14(20)9-13/h2-10,22H,11H2,1H3,(H,21,23)
InChIKeyDTWKTWWJUGDFKU-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.84
Rot. Bonds5

About 3-fluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide

3-fluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide (PubChem CID 28667547) has the molecular formula C19H16FNO4 and a molecular weight of 341.34 g/mol. Its IUPAC name is 3-fluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide
PubChem CID28667547
Molecular FormulaC19H16FNO4
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC Name3-fluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide
SMILESCOc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C19H16FNO4/c1-24-18-7-5-12(17-8-6-15(11-22)25-17)10-16(18)21-19(23)13-3-2-4-14(20)9-13/h2-10,22H,11H2,1H3,(H,21,23)
InChIKeyDTWKTWWJUGDFKU-UHFFFAOYSA-N
XLogP3.84
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide?
The IUPAC name of 3-fluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide (CID 28667547) is 3-fluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide is COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide?
The InChIKey is DTWKTWWJUGDFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4/c1-24-18-7-5-12(17-8-6-15(11-22)25-17)10-16(18)21-19(23)13-3-2-4-14(20)9-13/h2-10,22H,11H2,1H3,(H,21,23).
What are the key properties of 3-fluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide?
3-fluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide has a molecular weight of 341.34 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide is sourced from PubChem (CID 28667547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).