N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-chlorobenzamide

C23H32ClN3O2 — CID 5206596

About N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-chlorobenzamide

N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-chlorobenzamide (PubChem CID 5206596) has the molecular formula C23H32ClN3O2 and a molecular weight of 417.98 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-chlorobenzamide.

Molecular Properties

• Compound Name: N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-chlorobenzamide
• PubChem CID: 5206596
• Molecular Formula: C23H32ClN3O2
• Molecular Weight: 417.98 g/mol
• Exact Mass: 417.22
• IUPAC Name: N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-chlorobenzamide
• SMILES: CCCCN(Cc1cccn1C)C(=O)CN(C(=O)c1cccc(Cl)c1)C(C)CC
• InChI: InChI=1S/C23H32ClN3O2/c1-5-7-14-26(16-21-12-9-13-25(21)4)22(28)17-27(18(3)6-2)23(29)19-10-8-11-20(24)15-19/h8-13,15,18H,5-7,14,16-17H2,1-4H3
• InChIKey: MVOUMEDLUUKJGS-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 45.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.98
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-chlorobenzamide?

The IUPAC name of N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-chlorobenzamide (CID 5206596) is N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-chlorobenzamide.

What is the SMILES notation for N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-chlorobenzamide?

The canonical SMILES for N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-chlorobenzamide is CCCCN(Cc1cccn1C)C(=O)CN(C(=O)c1cccc(Cl)c1)C(C)CC.

What is the InChIKey of N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-chlorobenzamide?

The InChIKey is MVOUMEDLUUKJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O2/c1-5-7-14-26(16-21-12-9-13-25(21)4)22(28)17-27(18(3)6-2)23(29)19-10-8-11-20(24)15-19/h8-13,15,18H,5-7,14,16-17H2,1-4H3.

What are the key properties of N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-chlorobenzamide?

N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-chlorobenzamide has a molecular weight of 417.98 g/mol, XLogP of 4.75, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-chlorobenzamide is sourced from PubChem (CID 5206596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).