3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide

C21H25Cl2N3O3 — CID 4212133

About 3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide

3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide (PubChem CID 4212133) has the molecular formula C21H25Cl2N3O3 and a molecular weight of 438.36 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

• Compound Name: 3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
• PubChem CID: 4212133
• Molecular Formula: C21H25Cl2N3O3
• Molecular Weight: 438.36 g/mol
• Exact Mass: 437.13
• IUPAC Name: 3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
• SMILES: COCCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)c1cc(Cl)cc(Cl)c1
• InChI: InChI=1S/C21H25Cl2N3O3/c1-24-7-3-4-19(24)13-26(18-5-6-18)20(27)14-25(8-9-29-2)21(28)15-10-16(22)12-17(23)11-15/h3-4,7,10-12,18H,5-6,8-9,13-14H2,1-2H3
• InChIKey: FSSFKFRKXYBLFP-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 54.78 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.36
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide?

The IUPAC name of 3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide (CID 4212133) is 3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide.

What is the SMILES notation for 3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide?

The canonical SMILES for 3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide is COCCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)c1cc(Cl)cc(Cl)c1.

What is the InChIKey of 3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide?

The InChIKey is FSSFKFRKXYBLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O3/c1-24-7-3-4-19(24)13-26(18-5-6-18)20(27)14-25(8-9-29-2)21(28)15-10-16(22)12-17(23)11-15/h3-4,7,10-12,18H,5-6,8-9,13-14H2,1-2H3.

What are the key properties of 3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide?

3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide has a molecular weight of 438.36 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 4212133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).