2-bromo-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[4-(methylcarbamoyl)phenyl]benzamide

C26H24BrN3O3 — CID 71065384

About 2-bromo-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[4-(methylcarbamoyl)phenyl]benzamide

2-bromo-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[4-(methylcarbamoyl)phenyl]benzamide (PubChem CID 71065384) has the molecular formula C26H24BrN3O3 and a molecular weight of 506.40 g/mol. Its IUPAC name is 2-bromo-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[4-(methylcarbamoyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 2-bromo-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[4-(methylcarbamoyl)phenyl]benzamide
• PubChem CID: 71065384
• Molecular Formula: C26H24BrN3O3
• Molecular Weight: 506.40 g/mol
• Exact Mass: 505.10
• IUPAC Name: 2-bromo-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[4-(methylcarbamoyl)phenyl]benzamide
• SMILES: CNC(=O)c1ccc(-c2ccc(Br)c(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c2)cc1
• InChI: InChI=1S/C26H24BrN3O3/c1-28-25(32)17-8-6-16(7-9-17)18-10-11-23(27)22(13-18)26(33)30-20(15-31)12-19-14-29-24-5-3-2-4-21(19)24/h2-11,13-14,20,29,31H,12,15H2,1H3,(H,28,32)(H,30,33)/t20-/m1/s1
• InChIKey: FUZHCOBLBAFGLS-HXUWFJFHSA-N
• XLogP: 4.29
• TPSA: 94.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.40
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[4-(methylcarbamoyl)phenyl]benzamide?

The IUPAC name of 2-bromo-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[4-(methylcarbamoyl)phenyl]benzamide (CID 71065384) is 2-bromo-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[4-(methylcarbamoyl)phenyl]benzamide.

What is the SMILES notation for 2-bromo-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[4-(methylcarbamoyl)phenyl]benzamide?

The canonical SMILES for 2-bromo-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[4-(methylcarbamoyl)phenyl]benzamide is CNC(=O)c1ccc(-c2ccc(Br)c(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c2)cc1.

What is the InChIKey of 2-bromo-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[4-(methylcarbamoyl)phenyl]benzamide?

The InChIKey is FUZHCOBLBAFGLS-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H24BrN3O3/c1-28-25(32)17-8-6-16(7-9-17)18-10-11-23(27)22(13-18)26(33)30-20(15-31)12-19-14-29-24-5-3-2-4-21(19)24/h2-11,13-14,20,29,31H,12,15H2,1H3,(H,28,32)(H,30,33)/t20-/m1/s1.

What are the key properties of 2-bromo-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[4-(methylcarbamoyl)phenyl]benzamide?

2-bromo-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[4-(methylcarbamoyl)phenyl]benzamide has a molecular weight of 506.40 g/mol, XLogP of 4.29, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[4-(methylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 71065384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).