3-[2-[(3-fluorophenyl)methyl]-1-benzofuran-7-yl]-N-(2-hydroxyethyl)benzamide

C24H20FNO3 — CID 59193815

IUPAC3-[2-[(3-fluorophenyl)methyl]-1-benzofuran-7-yl]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1cccc(-c2cccc3cc(Cc4cccc(F)c4)oc23)c1
InChIInChI=1S/C24H20FNO3/c25-20-8-1-4-16(12-20)13-21-15-18-6-3-9-22(23(18)29-21)17-5-2-7-19(14-17)24(28)26-10-11-27/h1-9,12,14-15,27H,10-11,13H2,(H,26,28)
InChIKeyVTRYYIIYFPWNCD-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.55
Rot. Bonds6

About 3-[2-[(3-fluorophenyl)methyl]-1-benzofuran-7-yl]-N-(2-hydroxyethyl)benzamide

3-[2-[(3-fluorophenyl)methyl]-1-benzofuran-7-yl]-N-(2-hydroxyethyl)benzamide (PubChem CID 59193815) has the molecular formula C24H20FNO3 and a molecular weight of 389.43 g/mol. Its IUPAC name is 3-[2-[(3-fluorophenyl)methyl]-1-benzofuran-7-yl]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-[2-[(3-fluorophenyl)methyl]-1-benzofuran-7-yl]-N-(2-hydroxyethyl)benzamide
PubChem CID59193815
Molecular FormulaC24H20FNO3
Molecular Weight389.43 g/mol
Exact Mass389.14
IUPAC Name3-[2-[(3-fluorophenyl)methyl]-1-benzofuran-7-yl]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1cccc(-c2cccc3cc(Cc4cccc(F)c4)oc23)c1
InChIInChI=1S/C24H20FNO3/c25-20-8-1-4-16(12-20)13-21-15-18-6-3-9-22(23(18)29-21)17-5-2-7-19(14-17)24(28)26-10-11-27/h1-9,12,14-15,27H,10-11,13H2,(H,26,28)
InChIKeyVTRYYIIYFPWNCD-UHFFFAOYSA-N
XLogP4.55
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-fluorophenyl)methyl]-1-benzofuran-7-yl]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-[2-[(3-fluorophenyl)methyl]-1-benzofuran-7-yl]-N-(2-hydroxyethyl)benzamide (CID 59193815) is 3-[2-[(3-fluorophenyl)methyl]-1-benzofuran-7-yl]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-[2-[(3-fluorophenyl)methyl]-1-benzofuran-7-yl]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-[2-[(3-fluorophenyl)methyl]-1-benzofuran-7-yl]-N-(2-hydroxyethyl)benzamide is O=C(NCCO)c1cccc(-c2cccc3cc(Cc4cccc(F)c4)oc23)c1.
What is the InChIKey of 3-[2-[(3-fluorophenyl)methyl]-1-benzofuran-7-yl]-N-(2-hydroxyethyl)benzamide?
The InChIKey is VTRYYIIYFPWNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO3/c25-20-8-1-4-16(12-20)13-21-15-18-6-3-9-22(23(18)29-21)17-5-2-7-19(14-17)24(28)26-10-11-27/h1-9,12,14-15,27H,10-11,13H2,(H,26,28).
What are the key properties of 3-[2-[(3-fluorophenyl)methyl]-1-benzofuran-7-yl]-N-(2-hydroxyethyl)benzamide?
3-[2-[(3-fluorophenyl)methyl]-1-benzofuran-7-yl]-N-(2-hydroxyethyl)benzamide has a molecular weight of 389.43 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-fluorophenyl)methyl]-1-benzofuran-7-yl]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 59193815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).