N-(4-chlorophenyl)-2-[2,6-dibromo-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide

C39H39Br2ClN2O4 — CID 126274863

About N-(4-chlorophenyl)-2-[2,6-dibromo-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide

N-(4-chlorophenyl)-2-[2,6-dibromo-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide (PubChem CID 126274863) has the molecular formula C39H39Br2ClN2O4 and a molecular weight of 795.01 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2,6-dibromo-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-2-[2,6-dibromo-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide
• PubChem CID: 126274863
• Molecular Formula: C39H39Br2ClN2O4
• Molecular Weight: 795.01 g/mol
• Exact Mass: 792.10
• IUPAC Name: N-(4-chlorophenyl)-2-[2,6-dibromo-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide
• SMILES: CC1(C)CC(=O)C2=C(C1)N(CCc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1
• InChI: InChI=1S/C39H39Br2ClN2O4/c1-38(2)18-29-35(31(45)20-38)34(36-30(19-39(3,4)21-32(36)46)44(29)15-14-23-8-6-5-7-9-23)24-16-27(40)37(28(41)17-24)48-22-33(47)43-26-12-10-25(42)11-13-26/h5-13,16-17,34H,14-15,18-22H2,1-4H3,(H,43,47)
• InChIKey: XTPZNQQHYJKAOD-UHFFFAOYSA-N
• XLogP: 9.81
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.01
LogP ≤ 5	9.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2,6-dibromo-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide?

The IUPAC name of N-(4-chlorophenyl)-2-[2,6-dibromo-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide (CID 126274863) is N-(4-chlorophenyl)-2-[2,6-dibromo-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide.

What is the SMILES notation for N-(4-chlorophenyl)-2-[2,6-dibromo-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide?

The canonical SMILES for N-(4-chlorophenyl)-2-[2,6-dibromo-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide is CC1(C)CC(=O)C2=C(C1)N(CCc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1.

What is the InChIKey of N-(4-chlorophenyl)-2-[2,6-dibromo-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide?

The InChIKey is XTPZNQQHYJKAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H39Br2ClN2O4/c1-38(2)18-29-35(31(45)20-38)34(36-30(19-39(3,4)21-32(36)46)44(29)15-14-23-8-6-5-7-9-23)24-16-27(40)37(28(41)17-24)48-22-33(47)43-26-12-10-25(42)11-13-26/h5-13,16-17,34H,14-15,18-22H2,1-4H3,(H,43,47).

What are the key properties of N-(4-chlorophenyl)-2-[2,6-dibromo-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide?

N-(4-chlorophenyl)-2-[2,6-dibromo-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide has a molecular weight of 795.01 g/mol, XLogP of 9.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-2-[2,6-dibromo-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide is sourced from PubChem (CID 126274863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).