4-fluoro-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide

C22H18FNO3 — CID 46082466

IUPAC4-fluoro-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
SMILESO=C(NCC1Cc2cc(Oc3ccccc3)ccc2O1)c1ccc(F)cc1
InChIInChI=1S/C22H18FNO3/c23-17-8-6-15(7-9-17)22(25)24-14-20-13-16-12-19(10-11-21(16)27-20)26-18-4-2-1-3-5-18/h1-12,20H,13-14H2,(H,24,25)
InChIKeyBFYZZVIZHVSYJM-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.35
Rot. Bonds5

About 4-fluoro-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide

4-fluoro-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide (PubChem CID 46082466) has the molecular formula C22H18FNO3 and a molecular weight of 363.39 g/mol. Its IUPAC name is 4-fluoro-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
PubChem CID46082466
Molecular FormulaC22H18FNO3
Molecular Weight363.39 g/mol
Exact Mass363.13
IUPAC Name4-fluoro-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
SMILESO=C(NCC1Cc2cc(Oc3ccccc3)ccc2O1)c1ccc(F)cc1
InChIInChI=1S/C22H18FNO3/c23-17-8-6-15(7-9-17)22(25)24-14-20-13-16-12-19(10-11-21(16)27-20)26-18-4-2-1-3-5-18/h1-12,20H,13-14H2,(H,24,25)
InChIKeyBFYZZVIZHVSYJM-UHFFFAOYSA-N
XLogP4.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The IUPAC name of 4-fluoro-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide (CID 46082466) is 4-fluoro-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide is O=C(NCC1Cc2cc(Oc3ccccc3)ccc2O1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The InChIKey is BFYZZVIZHVSYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO3/c23-17-8-6-15(7-9-17)22(25)24-14-20-13-16-12-19(10-11-21(16)27-20)26-18-4-2-1-3-5-18/h1-12,20H,13-14H2,(H,24,25).
What are the key properties of 4-fluoro-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
4-fluoro-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide has a molecular weight of 363.39 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide is sourced from PubChem (CID 46082466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).