1-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide

C21H25ClN4O4 — CID 55578962

About 1-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide

1-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 55578962) has the molecular formula C21H25ClN4O4 and a molecular weight of 432.91 g/mol. Its IUPAC name is 1-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
• PubChem CID: 55578962
• Molecular Formula: C21H25ClN4O4
• Molecular Weight: 432.91 g/mol
• Exact Mass: 432.16
• IUPAC Name: 1-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
• SMILES: CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCCC1C(=O)NCc1ccco1
• InChI: InChI=1S/C21H25ClN4O4/c1-25(13-19(27)24-17-8-3-2-7-16(17)22)20(28)14-26-10-4-9-18(26)21(29)23-12-15-6-5-11-30-15/h2-3,5-8,11,18H,4,9-10,12-14H2,1H3,(H,23,29)(H,24,27)
• InChIKey: XKOAYXCGNRVCIZ-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 94.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.91
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?

The IUPAC name of 1-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide (CID 55578962) is 1-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?

The canonical SMILES for 1-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCCC1C(=O)NCc1ccco1.

What is the InChIKey of 1-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?

The InChIKey is XKOAYXCGNRVCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O4/c1-25(13-19(27)24-17-8-3-2-7-16(17)22)20(28)14-26-10-4-9-18(26)21(29)23-12-15-6-5-11-30-15/h2-3,5-8,11,18H,4,9-10,12-14H2,1H3,(H,23,29)(H,24,27).

What are the key properties of 1-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?

1-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 432.91 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55578962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).