4-chloro-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide

C22H21ClN2O3 — CID 71897532

About 4-chloro-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide

4-chloro-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 71897532) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is 4-chloro-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 4-chloro-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide
• PubChem CID: 71897532
• Molecular Formula: C22H21ClN2O3
• Molecular Weight: 396.87 g/mol
• Exact Mass: 396.12
• IUPAC Name: 4-chloro-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide
• SMILES: CN(C)C(=O)c1ccc(Cl)cc1NC(=O)Cc1coc2cc3c(cc12)CCC3
• InChI: InChI=1S/C22H21ClN2O3/c1-25(2)22(27)17-7-6-16(23)11-19(17)24-21(26)10-15-12-28-20-9-14-5-3-4-13(14)8-18(15)20/h6-9,11-12H,3-5,10H2,1-2H3,(H,24,26)
• InChIKey: JPCGROXUBOQAQW-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.87
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide?

The IUPAC name of 4-chloro-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide (CID 71897532) is 4-chloro-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide.

What is the SMILES notation for 4-chloro-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide?

The canonical SMILES for 4-chloro-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)cc1NC(=O)Cc1coc2cc3c(cc12)CCC3.

What is the InChIKey of 4-chloro-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide?

The InChIKey is JPCGROXUBOQAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-25(2)22(27)17-7-6-16(23)11-19(17)24-21(26)10-15-12-28-20-9-14-5-3-4-13(14)8-18(15)20/h6-9,11-12H,3-5,10H2,1-2H3,(H,24,26).

What are the key properties of 4-chloro-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide?

4-chloro-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 396.87 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 71897532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).