N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C25H28Cl2N4O3 — CID 42767512

About N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 42767512) has the molecular formula C25H28Cl2N4O3 and a molecular weight of 503.43 g/mol. Its IUPAC name is N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• PubChem CID: 42767512
• Molecular Formula: C25H28Cl2N4O3
• Molecular Weight: 503.43 g/mol
• Exact Mass: 502.15
• IUPAC Name: N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• SMILES: COCCN(CC(=O)N(Cc1ccccc1)Cc1cccn1C)C(=O)Nc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C25H28Cl2N4O3/c1-29-12-6-9-21(29)17-31(16-19-7-4-3-5-8-19)24(32)18-30(13-14-34-2)25(33)28-23-11-10-20(26)15-22(23)27/h3-12,15H,13-14,16-18H2,1-2H3,(H,28,33)
• InChIKey: FZKICFATCWBOSG-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 66.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.43
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The IUPAC name of N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 42767512) is N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

What is the SMILES notation for N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The canonical SMILES for N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is COCCN(CC(=O)N(Cc1ccccc1)Cc1cccn1C)C(=O)Nc1ccc(Cl)cc1Cl.

What is the InChIKey of N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The InChIKey is FZKICFATCWBOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N4O3/c1-29-12-6-9-21(29)17-31(16-19-7-4-3-5-8-19)24(32)18-30(13-14-34-2)25(33)28-23-11-10-20(26)15-22(23)27/h3-12,15H,13-14,16-18H2,1-2H3,(H,28,33).

What are the key properties of N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 503.43 g/mol, XLogP of 5.04, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 42767512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).