7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

C18H19ClN2O3 — CID 8011985

About 7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 8011985) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
• PubChem CID: 8011985
• Molecular Formula: C18H19ClN2O3
• Molecular Weight: 346.81 g/mol
• Exact Mass: 346.11
• IUPAC Name: 7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
• SMILES: Cc1c(C(=O)NC[C@H](c2ccco2)N(C)C)oc2c(Cl)cccc12
• InChI: InChI=1S/C18H19ClN2O3/c1-11-12-6-4-7-13(19)17(12)24-16(11)18(22)20-10-14(21(2)3)15-8-5-9-23-15/h4-9,14H,10H2,1-3H3,(H,20,22)/t14-/m1/s1
• InChIKey: JMOGGVIWCLTQHU-CQSZACIVSA-N
• XLogP: 4.02
• TPSA: 58.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.81
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide?

The IUPAC name of 7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide (CID 8011985) is 7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide.

What is the SMILES notation for 7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide?

The canonical SMILES for 7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC[C@H](c2ccco2)N(C)C)oc2c(Cl)cccc12.

What is the InChIKey of 7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide?

The InChIKey is JMOGGVIWCLTQHU-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-11-12-6-4-7-13(19)17(12)24-16(11)18(22)20-10-14(21(2)3)15-8-5-9-23-15/h4-9,14H,10H2,1-3H3,(H,20,22)/t14-/m1/s1.

What are the key properties of 7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide?

7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 346.81 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8011985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).