(3R)-1-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C23H25Cl2N3O4 — CID 124603409

About (3R)-1-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 124603409) has the molecular formula C23H25Cl2N3O4 and a molecular weight of 478.38 g/mol. Its IUPAC name is (3R)-1-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 124603409
• Molecular Formula: C23H25Cl2N3O4
• Molecular Weight: 478.38 g/mol
• Exact Mass: 477.12
• IUPAC Name: (3R)-1-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
• SMILES: CC(C)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C1
• InChI: InChI=1S/C23H25Cl2N3O4/c1-14(2)11-26-23(31)15-7-22(30)28(12-15)19-3-5-20(6-4-19)32-13-21(29)27-18-9-16(24)8-17(25)10-18/h3-6,8-10,14-15H,7,11-13H2,1-2H3,(H,26,31)(H,27,29)/t15-/m1/s1
• InChIKey: VKKYGFFJIDHLOU-OAHLLOKOSA-N
• XLogP: 4.14
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.38
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of (3R)-1-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 124603409) is (3R)-1-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-1-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-1-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C1.

What is the InChIKey of (3R)-1-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?

The InChIKey is VKKYGFFJIDHLOU-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25Cl2N3O4/c1-14(2)11-26-23(31)15-7-22(30)28(12-15)19-3-5-20(6-4-19)32-13-21(29)27-18-9-16(24)8-17(25)10-18/h3-6,8-10,14-15H,7,11-13H2,1-2H3,(H,26,31)(H,27,29)/t15-/m1/s1.

What are the key properties of (3R)-1-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?

(3R)-1-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 478.38 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124603409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).