N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C21H23ClN2O4 — CID 55611037

About N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 55611037) has the molecular formula C21H23ClN2O4 and a molecular weight of 402.88 g/mol. Its IUPAC name is N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
• PubChem CID: 55611037
• Molecular Formula: C21H23ClN2O4
• Molecular Weight: 402.88 g/mol
• Exact Mass: 402.13
• IUPAC Name: N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
• SMILES: CCN(CC)C(=O)COc1ccc(NC(=O)C2Cc3ccccc3O2)cc1Cl
• InChI: InChI=1S/C21H23ClN2O4/c1-3-24(4-2)20(25)13-27-18-10-9-15(12-16(18)22)23-21(26)19-11-14-7-5-6-8-17(14)28-19/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,23,26)
• InChIKey: KIAALCBSHLMUPI-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.88
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The IUPAC name of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 55611037) is N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is CCN(CC)C(=O)COc1ccc(NC(=O)C2Cc3ccccc3O2)cc1Cl.

What is the InChIKey of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The InChIKey is KIAALCBSHLMUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4/c1-3-24(4-2)20(25)13-27-18-10-9-15(12-16(18)22)23-21(26)19-11-14-7-5-6-8-17(14)28-19/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,23,26).

What are the key properties of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 402.88 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55611037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).