2-bromo-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide

C23H32BrN3O2 — CID 42767757

About 2-bromo-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide

2-bromo-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide (PubChem CID 42767757) has the molecular formula C23H32BrN3O2 and a molecular weight of 462.43 g/mol. Its IUPAC name is 2-bromo-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 2-bromo-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
• PubChem CID: 42767757
• Molecular Formula: C23H32BrN3O2
• Molecular Weight: 462.43 g/mol
• Exact Mass: 461.17
• IUPAC Name: 2-bromo-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
• SMILES: CC(C)CN(Cc1cccn1C)C(=O)CN(CC(C)C)C(=O)c1ccccc1Br
• InChI: InChI=1S/C23H32BrN3O2/c1-17(2)13-26(15-19-9-8-12-25(19)5)22(28)16-27(14-18(3)4)23(29)20-10-6-7-11-21(20)24/h6-12,17-18H,13-16H2,1-5H3
• InChIKey: AYRZSRWFOOLWAV-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 45.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.43
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide?

The IUPAC name of 2-bromo-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide (CID 42767757) is 2-bromo-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide.

What is the SMILES notation for 2-bromo-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide?

The canonical SMILES for 2-bromo-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide is CC(C)CN(Cc1cccn1C)C(=O)CN(CC(C)C)C(=O)c1ccccc1Br.

What is the InChIKey of 2-bromo-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide?

The InChIKey is AYRZSRWFOOLWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32BrN3O2/c1-17(2)13-26(15-19-9-8-12-25(19)5)22(28)16-27(14-18(3)4)23(29)20-10-6-7-11-21(20)24/h6-12,17-18H,13-16H2,1-5H3.

What are the key properties of 2-bromo-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide?

2-bromo-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide has a molecular weight of 462.43 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 42767757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).