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

C35H40Cl2N2O4 — CID 126258853

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

N-(3-chloro-4-methylphenyl)-2-[2-chloro-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide (PubChem CID 126258853) has the molecular formula C35H40Cl2N2O4 and a molecular weight of 623.62 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[2-chloro-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-methylphenyl)-2-[2-chloro-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
• PubChem CID: 126258853
• Molecular Formula: C35H40Cl2N2O4
• Molecular Weight: 623.62 g/mol
• Exact Mass: 622.24
• IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[2-chloro-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
• SMILES: CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)C2=C1CC(C)(C)CC2=O
• InChI: InChI=1S/C35H40Cl2N2O4/c1-7-12-39-25-15-34(3,4)17-27(40)32(25)31(33-26(39)16-35(5,6)18-28(33)41)21-9-11-29(24(37)13-21)43-19-30(42)38-22-10-8-20(2)23(36)14-22/h8-11,13-14,31H,7,12,15-19H2,1-6H3,(H,38,42)
• InChIKey: UOORXTAANXGXMR-UHFFFAOYSA-N
• XLogP: 8.41
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.62
LogP ≤ 5	8.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2-chloro-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide (CID 126258853) is N-(3-chloro-4-methylphenyl)-2-[2-chloro-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide.

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

The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[2-chloro-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide is CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)C2=C1CC(C)(C)CC2=O.

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

The InChIKey is UOORXTAANXGXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40Cl2N2O4/c1-7-12-39-25-15-34(3,4)17-27(40)32(25)31(33-26(39)16-35(5,6)18-28(33)41)21-9-11-29(24(37)13-21)43-19-30(42)38-22-10-8-20(2)23(36)14-22/h8-11,13-14,31H,7,12,15-19H2,1-6H3,(H,38,42).

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

N-(3-chloro-4-methylphenyl)-2-[2-chloro-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide has a molecular weight of 623.62 g/mol, XLogP of 8.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-methylphenyl)-2-[2-chloro-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide is sourced from PubChem (CID 126258853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).