2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]acetamide

C18H17ClFNO3 — CID 139002909

IUPAC2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]acetamide
SMILESO=C(Cc1cc(Cl)cc2c1OCC2)NCC(O)c1cccc(F)c1
InChIInChI=1S/C18H17ClFNO3/c19-14-6-12-4-5-24-18(12)13(7-14)9-17(23)21-10-16(22)11-2-1-3-15(20)8-11/h1-3,6-8,16,22H,4-5,9-10H2,(H,21,23)
InChIKeyIHRXNBIFJDEHJU-UHFFFAOYSA-N
MW349.79 g/mol
LogP2.81
Rot. Bonds5

About 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]acetamide

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]acetamide (PubChem CID 139002909) has the molecular formula C18H17ClFNO3 and a molecular weight of 349.79 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]acetamide
PubChem CID139002909
Molecular FormulaC18H17ClFNO3
Molecular Weight349.79 g/mol
Exact Mass349.09
IUPAC Name2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]acetamide
SMILESO=C(Cc1cc(Cl)cc2c1OCC2)NCC(O)c1cccc(F)c1
InChIInChI=1S/C18H17ClFNO3/c19-14-6-12-4-5-24-18(12)13(7-14)9-17(23)21-10-16(22)11-2-1-3-15(20)8-11/h1-3,6-8,16,22H,4-5,9-10H2,(H,21,23)
InChIKeyIHRXNBIFJDEHJU-UHFFFAOYSA-N
XLogP2.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]acetamide?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]acetamide (CID 139002909) is 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]acetamide?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]acetamide is O=C(Cc1cc(Cl)cc2c1OCC2)NCC(O)c1cccc(F)c1.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]acetamide?
The InChIKey is IHRXNBIFJDEHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO3/c19-14-6-12-4-5-24-18(12)13(7-14)9-17(23)21-10-16(22)11-2-1-3-15(20)8-11/h1-3,6-8,16,22H,4-5,9-10H2,(H,21,23).
What are the key properties of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]acetamide?
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]acetamide has a molecular weight of 349.79 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 139002909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).