N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide

C21H20ClNO3 — CID 112814061

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (PubChem CID 112814061) has the molecular formula C21H20ClNO3 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
• PubChem CID: 112814061
• Molecular Formula: C21H20ClNO3
• Molecular Weight: 369.85 g/mol
• Exact Mass: 369.11
• IUPAC Name: N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
• SMILES: O=C(Cc1coc2cc3c(cc12)CCC3)NCC(O)c1ccc(Cl)cc1
• InChI: InChI=1S/C21H20ClNO3/c22-17-6-4-13(5-7-17)19(24)11-23-21(25)10-16-12-26-20-9-15-3-1-2-14(15)8-18(16)20/h4-9,12,19,24H,1-3,10-11H2,(H,23,25)
• InChIKey: RBVQHIGNAJDJNQ-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 62.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.85
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?

The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (CID 112814061) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.

What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?

The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is O=C(Cc1coc2cc3c(cc12)CCC3)NCC(O)c1ccc(Cl)cc1.

What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?

The InChIKey is RBVQHIGNAJDJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO3/c22-17-6-4-13(5-7-17)19(24)11-23-21(25)10-16-12-26-20-9-15-3-1-2-14(15)8-18(16)20/h4-9,12,19,24H,1-3,10-11H2,(H,23,25).

What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide has a molecular weight of 369.85 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is sourced from PubChem (CID 112814061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).