2-(1,3-dihydro-2-benzofuran-5-yl)-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide

C18H18FNO3 — CID 166233416

IUPAC2-(1,3-dihydro-2-benzofuran-5-yl)-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
SMILESO=C(Cc1ccc2c(c1)COC2)NC[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C18H18FNO3/c19-16-5-3-13(4-6-16)17(21)9-20-18(22)8-12-1-2-14-10-23-11-15(14)7-12/h1-7,17,21H,8-11H2,(H,20,22)/t17-/m0/s1
InChIKeyCQNCJIHAABAQFL-KRWDZBQOSA-N
MW315.34 g/mol
LogP2.25
Rot. Bonds5

About 2-(1,3-dihydro-2-benzofuran-5-yl)-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide

2-(1,3-dihydro-2-benzofuran-5-yl)-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide (PubChem CID 166233416) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is 2-(1,3-dihydro-2-benzofuran-5-yl)-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dihydro-2-benzofuran-5-yl)-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
PubChem CID166233416
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name2-(1,3-dihydro-2-benzofuran-5-yl)-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
SMILESO=C(Cc1ccc2c(c1)COC2)NC[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C18H18FNO3/c19-16-5-3-13(4-6-16)17(21)9-20-18(22)8-12-1-2-14-10-23-11-15(14)7-12/h1-7,17,21H,8-11H2,(H,20,22)/t17-/m0/s1
InChIKeyCQNCJIHAABAQFL-KRWDZBQOSA-N
XLogP2.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydro-2-benzofuran-5-yl)-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide?
The IUPAC name of 2-(1,3-dihydro-2-benzofuran-5-yl)-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide (CID 166233416) is 2-(1,3-dihydro-2-benzofuran-5-yl)-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for 2-(1,3-dihydro-2-benzofuran-5-yl)-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide?
The canonical SMILES for 2-(1,3-dihydro-2-benzofuran-5-yl)-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide is O=C(Cc1ccc2c(c1)COC2)NC[C@H](O)c1ccc(F)cc1.
What is the InChIKey of 2-(1,3-dihydro-2-benzofuran-5-yl)-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide?
The InChIKey is CQNCJIHAABAQFL-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18FNO3/c19-16-5-3-13(4-6-16)17(21)9-20-18(22)8-12-1-2-14-10-23-11-15(14)7-12/h1-7,17,21H,8-11H2,(H,20,22)/t17-/m0/s1.
What are the key properties of 2-(1,3-dihydro-2-benzofuran-5-yl)-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide?
2-(1,3-dihydro-2-benzofuran-5-yl)-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide has a molecular weight of 315.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydro-2-benzofuran-5-yl)-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 166233416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).