2-(4-chlorophenoxy)-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]acetamide

C27H31ClN2O3 — CID 42663147

About 2-(4-chlorophenoxy)-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]acetamide

2-(4-chlorophenoxy)-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]acetamide (PubChem CID 42663147) has the molecular formula C27H31ClN2O3 and a molecular weight of 467.01 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenoxy)-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]acetamide
• PubChem CID: 42663147
• Molecular Formula: C27H31ClN2O3
• Molecular Weight: 467.01 g/mol
• Exact Mass: 466.20
• IUPAC Name: 2-(4-chlorophenoxy)-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]acetamide
• SMILES: COc1cccc(Cn2cccc2CN(C(=O)COc2ccc(Cl)cc2)C2CCCCC2)c1
• InChI: InChI=1S/C27H31ClN2O3/c1-32-26-11-5-7-21(17-26)18-29-16-6-10-24(29)19-30(23-8-3-2-4-9-23)27(31)20-33-25-14-12-22(28)13-15-25/h5-7,10-17,23H,2-4,8-9,18-20H2,1H3
• InChIKey: WIXHSTLCGSMKFR-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 43.70 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.01
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(4-chlorophenoxy)-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]acetamide (CID 42663147) is 2-(4-chlorophenoxy)-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]acetamide.

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

The canonical SMILES for 2-(4-chlorophenoxy)-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]acetamide is COc1cccc(Cn2cccc2CN(C(=O)COc2ccc(Cl)cc2)C2CCCCC2)c1.

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

The InChIKey is WIXHSTLCGSMKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN2O3/c1-32-26-11-5-7-21(17-26)18-29-16-6-10-24(29)19-30(23-8-3-2-4-9-23)27(31)20-33-25-14-12-22(28)13-15-25/h5-7,10-17,23H,2-4,8-9,18-20H2,1H3.

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

2-(4-chlorophenoxy)-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]acetamide has a molecular weight of 467.01 g/mol, XLogP of 5.94, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenoxy)-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]acetamide is sourced from PubChem (CID 42663147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).