2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[5-[[2-(6-bromo-2-methoxynaphthalen-1-yl)acetyl]amino]naphthalen-1-yl]acetamide

C36H28Br2N2O4 — CID 4729799

About 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[5-[[2-(6-bromo-2-methoxynaphthalen-1-yl)acetyl]amino]naphthalen-1-yl]acetamide

2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[5-[[2-(6-bromo-2-methoxynaphthalen-1-yl)acetyl]amino]naphthalen-1-yl]acetamide (PubChem CID 4729799) has the molecular formula C36H28Br2N2O4 and a molecular weight of 712.44 g/mol. Its IUPAC name is 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[5-[[2-(6-bromo-2-methoxynaphthalen-1-yl)acetyl]amino]naphthalen-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[5-[[2-(6-bromo-2-methoxynaphthalen-1-yl)acetyl]amino]naphthalen-1-yl]acetamide
• PubChem CID: 4729799
• Molecular Formula: C36H28Br2N2O4
• Molecular Weight: 712.44 g/mol
• Exact Mass: 710.04
• IUPAC Name: 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[5-[[2-(6-bromo-2-methoxynaphthalen-1-yl)acetyl]amino]naphthalen-1-yl]acetamide
• SMILES: COc1ccc2cc(Br)ccc2c1CC(=O)Nc1cccc2c(NC(=O)Cc3c(OC)ccc4cc(Br)ccc34)cccc12
• InChI: InChI=1S/C36H28Br2N2O4/c1-43-33-15-9-21-17-23(37)11-13-25(21)29(33)19-35(41)39-31-7-3-6-28-27(31)5-4-8-32(28)40-36(42)20-30-26-14-12-24(38)18-22(26)10-16-34(30)44-2/h3-18H,19-20H2,1-2H3,(H,39,41)(H,40,42)
• InChIKey: ZIICRXPGEZMYBV-UHFFFAOYSA-N
• XLogP: 9.05
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.44
LogP ≤ 5	9.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[5-[[2-(6-bromo-2-methoxynaphthalen-1-yl)acetyl]amino]naphthalen-1-yl]acetamide?

The IUPAC name of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[5-[[2-(6-bromo-2-methoxynaphthalen-1-yl)acetyl]amino]naphthalen-1-yl]acetamide (CID 4729799) is 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[5-[[2-(6-bromo-2-methoxynaphthalen-1-yl)acetyl]amino]naphthalen-1-yl]acetamide.

What is the SMILES notation for 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[5-[[2-(6-bromo-2-methoxynaphthalen-1-yl)acetyl]amino]naphthalen-1-yl]acetamide?

The canonical SMILES for 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[5-[[2-(6-bromo-2-methoxynaphthalen-1-yl)acetyl]amino]naphthalen-1-yl]acetamide is COc1ccc2cc(Br)ccc2c1CC(=O)Nc1cccc2c(NC(=O)Cc3c(OC)ccc4cc(Br)ccc34)cccc12.

What is the InChIKey of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[5-[[2-(6-bromo-2-methoxynaphthalen-1-yl)acetyl]amino]naphthalen-1-yl]acetamide?

The InChIKey is ZIICRXPGEZMYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28Br2N2O4/c1-43-33-15-9-21-17-23(37)11-13-25(21)29(33)19-35(41)39-31-7-3-6-28-27(31)5-4-8-32(28)40-36(42)20-30-26-14-12-24(38)18-22(26)10-16-34(30)44-2/h3-18H,19-20H2,1-2H3,(H,39,41)(H,40,42).

What are the key properties of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[5-[[2-(6-bromo-2-methoxynaphthalen-1-yl)acetyl]amino]naphthalen-1-yl]acetamide?

2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[5-[[2-(6-bromo-2-methoxynaphthalen-1-yl)acetyl]amino]naphthalen-1-yl]acetamide has a molecular weight of 712.44 g/mol, XLogP of 9.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[5-[[2-(6-bromo-2-methoxynaphthalen-1-yl)acetyl]amino]naphthalen-1-yl]acetamide is sourced from PubChem (CID 4729799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).