2-[2-[(3-chlorophenoxy)methyl]-4-[[1-(2-chlorophenyl)pyrrol-2-yl]methyl]morpholin-2-yl]acetamide

C24H25Cl2N3O3 — CID 110081896

About 2-[2-[(3-chlorophenoxy)methyl]-4-[[1-(2-chlorophenyl)pyrrol-2-yl]methyl]morpholin-2-yl]acetamide

2-[2-[(3-chlorophenoxy)methyl]-4-[[1-(2-chlorophenyl)pyrrol-2-yl]methyl]morpholin-2-yl]acetamide (PubChem CID 110081896) has the molecular formula C24H25Cl2N3O3 and a molecular weight of 474.39 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenoxy)methyl]-4-[[1-(2-chlorophenyl)pyrrol-2-yl]methyl]morpholin-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[2-[(3-chlorophenoxy)methyl]-4-[[1-(2-chlorophenyl)pyrrol-2-yl]methyl]morpholin-2-yl]acetamide
• PubChem CID: 110081896
• Molecular Formula: C24H25Cl2N3O3
• Molecular Weight: 474.39 g/mol
• Exact Mass: 473.13
• IUPAC Name: 2-[2-[(3-chlorophenoxy)methyl]-4-[[1-(2-chlorophenyl)pyrrol-2-yl]methyl]morpholin-2-yl]acetamide
• SMILES: NC(=O)CC1(COc2cccc(Cl)c2)CN(Cc2cccn2-c2ccccc2Cl)CCO1
• InChI: InChI=1S/C24H25Cl2N3O3/c25-18-5-3-7-20(13-18)31-17-24(14-23(27)30)16-28(11-12-32-24)15-19-6-4-10-29(19)22-9-2-1-8-21(22)26/h1-10,13H,11-12,14-17H2,(H2,27,30)
• InChIKey: GUOJPTQLAKVUHV-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.39
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenoxy)methyl]-4-[[1-(2-chlorophenyl)pyrrol-2-yl]methyl]morpholin-2-yl]acetamide?

The IUPAC name of 2-[2-[(3-chlorophenoxy)methyl]-4-[[1-(2-chlorophenyl)pyrrol-2-yl]methyl]morpholin-2-yl]acetamide (CID 110081896) is 2-[2-[(3-chlorophenoxy)methyl]-4-[[1-(2-chlorophenyl)pyrrol-2-yl]methyl]morpholin-2-yl]acetamide.

What is the SMILES notation for 2-[2-[(3-chlorophenoxy)methyl]-4-[[1-(2-chlorophenyl)pyrrol-2-yl]methyl]morpholin-2-yl]acetamide?

The canonical SMILES for 2-[2-[(3-chlorophenoxy)methyl]-4-[[1-(2-chlorophenyl)pyrrol-2-yl]methyl]morpholin-2-yl]acetamide is NC(=O)CC1(COc2cccc(Cl)c2)CN(Cc2cccn2-c2ccccc2Cl)CCO1.

What is the InChIKey of 2-[2-[(3-chlorophenoxy)methyl]-4-[[1-(2-chlorophenyl)pyrrol-2-yl]methyl]morpholin-2-yl]acetamide?

The InChIKey is GUOJPTQLAKVUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O3/c25-18-5-3-7-20(13-18)31-17-24(14-23(27)30)16-28(11-12-32-24)15-19-6-4-10-29(19)22-9-2-1-8-21(22)26/h1-10,13H,11-12,14-17H2,(H2,27,30).

What are the key properties of 2-[2-[(3-chlorophenoxy)methyl]-4-[[1-(2-chlorophenyl)pyrrol-2-yl]methyl]morpholin-2-yl]acetamide?

2-[2-[(3-chlorophenoxy)methyl]-4-[[1-(2-chlorophenyl)pyrrol-2-yl]methyl]morpholin-2-yl]acetamide has a molecular weight of 474.39 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(3-chlorophenoxy)methyl]-4-[[1-(2-chlorophenyl)pyrrol-2-yl]methyl]morpholin-2-yl]acetamide is sourced from PubChem (CID 110081896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).