2-[acetyl(bromo)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide

C20H18Br2Cl2N4O3 — CID 18923379

About 2-[acetyl(bromo)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide

2-[acetyl(bromo)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide (PubChem CID 18923379) has the molecular formula C20H18Br2Cl2N4O3 and a molecular weight of 593.10 g/mol. Its IUPAC name is 2-[acetyl(bromo)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[acetyl(bromo)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide
• PubChem CID: 18923379
• Molecular Formula: C20H18Br2Cl2N4O3
• Molecular Weight: 593.10 g/mol
• Exact Mass: 589.91
• IUPAC Name: 2-[acetyl(bromo)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide
• SMILES: CC(=O)N(Br)CC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl
• InChI: InChI=1S/C20H18Br2Cl2N4O3/c1-11-19(21)27-8-4-5-16(20(27)25-11)31-10-13-14(23)6-7-15(18(13)24)26(3)17(30)9-28(22)12(2)29/h4-8H,9-10H2,1-3H3
• InChIKey: PLEXTISLCQCEBX-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 67.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.10
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(bromo)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide?

The IUPAC name of 2-[acetyl(bromo)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide (CID 18923379) is 2-[acetyl(bromo)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide.

What is the SMILES notation for 2-[acetyl(bromo)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide?

The canonical SMILES for 2-[acetyl(bromo)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide is CC(=O)N(Br)CC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl.

What is the InChIKey of 2-[acetyl(bromo)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide?

The InChIKey is PLEXTISLCQCEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Br2Cl2N4O3/c1-11-19(21)27-8-4-5-16(20(27)25-11)31-10-13-14(23)6-7-15(18(13)24)26(3)17(30)9-28(22)12(2)29/h4-8H,9-10H2,1-3H3.

What are the key properties of 2-[acetyl(bromo)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide?

2-[acetyl(bromo)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide has a molecular weight of 593.10 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[acetyl(bromo)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide is sourced from PubChem (CID 18923379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).