3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]benzamide

C27H33Cl2N3O4 — CID 11295553

About 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]benzamide

3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]benzamide (PubChem CID 11295553) has the molecular formula C27H33Cl2N3O4 and a molecular weight of 534.48 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]benzamide.

Molecular Properties

• Compound Name: 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]benzamide
• PubChem CID: 11295553
• Molecular Formula: C27H33Cl2N3O4
• Molecular Weight: 534.48 g/mol
• Exact Mass: 533.18
• IUPAC Name: 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]benzamide
• SMILES: COc1ccc(C(=O)NC2CCN(CC(=O)N3CCCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C27H33Cl2N3O4/c1-35-24-7-5-20(16-25(24)36-15-10-19-4-6-21(28)17-23(19)29)27(34)30-22-8-13-31(14-9-22)18-26(33)32-11-2-3-12-32/h4-7,16-17,22H,2-3,8-15,18H2,1H3,(H,30,34)
• InChIKey: DHDMHUQPQCPSEY-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.48
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]benzamide?

The IUPAC name of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]benzamide (CID 11295553) is 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]benzamide.

What is the SMILES notation for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]benzamide?

The canonical SMILES for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]benzamide is COc1ccc(C(=O)NC2CCN(CC(=O)N3CCCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl.

What is the InChIKey of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]benzamide?

The InChIKey is DHDMHUQPQCPSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33Cl2N3O4/c1-35-24-7-5-20(16-25(24)36-15-10-19-4-6-21(28)17-23(19)29)27(34)30-22-8-13-31(14-9-22)18-26(33)32-11-2-3-12-32/h4-7,16-17,22H,2-3,8-15,18H2,1H3,(H,30,34).

What are the key properties of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]benzamide?

3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]benzamide has a molecular weight of 534.48 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 11295553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).