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

C29H28Cl2N2O4 — CID 126278154

IUPAC2-[4-chloro-2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(Cl)cc2C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1Cl
InChIInChI=1S/C29H28Cl2N2O4/c1-16-9-11-18(14-20(16)31)32-26(36)15-37-25-12-10-17(30)13-19(25)27-28-21(5-3-7-23(28)34)33(2)22-6-4-8-24(35)29(22)27/h9-14,27H,3-8,15H2,1-2H3,(H,32,36)
InChIKeyXFLNAMSILHIESK-UHFFFAOYSA-N
MW539.46 g/mol
LogP6.36
Rot. Bonds5

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

2-[4-chloro-2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 126278154) has the molecular formula C29H28Cl2N2O4 and a molecular weight of 539.46 g/mol. Its IUPAC name is 2-[4-chloro-2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID126278154
Molecular FormulaC29H28Cl2N2O4
Molecular Weight539.46 g/mol
Exact Mass538.14
IUPAC Name2-[4-chloro-2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(Cl)cc2C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1Cl
InChIInChI=1S/C29H28Cl2N2O4/c1-16-9-11-18(14-20(16)31)32-26(36)15-37-25-12-10-17(30)13-19(25)27-28-21(5-3-7-23(28)34)33(2)22-6-4-8-24(35)29(22)27/h9-14,27H,3-8,15H2,1-2H3,(H,32,36)
InChIKeyXFLNAMSILHIESK-UHFFFAOYSA-N
XLogP6.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.46
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-chloro-2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(3-chloro-4-methylphenyl)acetamide with MolForge

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Related Compounds

2-[2-chloro-4-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126261749
2-[2-chloro-4-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide
CID 126266021
2-[4-chloro-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide
CID 1006842
N-(4-methoxyphenyl)-2-[2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126381127
N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126260419
N-(3-chloro-4-methylphenyl)-2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)-2-methoxyphenoxy]acetamide
CID 126267968
N-(2,5-dimethylphenyl)-2-[2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126271041
2-[2-bromo-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(4-chlorophenyl)acetamide
CID 126231423
2-[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126265734
2-[4-chloro-2-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-chlorophenyl)acetamide
CID 126231587
2-[2-bromo-4-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(2-chlorophenyl)acetamide
CID 126255641
2-[2,6-dichloro-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126270664

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[4-chloro-2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(3-chloro-4-methylphenyl)acetamide (CID 126278154) is 2-[4-chloro-2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-chloro-2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(3-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(Cl)cc2C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1Cl.
What is the InChIKey of 2-[4-chloro-2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is XFLNAMSILHIESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl2N2O4/c1-16-9-11-18(14-20(16)31)32-26(36)15-37-25-12-10-17(30)13-19(25)27-28-21(5-3-7-23(28)34)33(2)22-6-4-8-24(35)29(22)27/h9-14,27H,3-8,15H2,1-2H3,(H,32,36).
What are the key properties of 2-[4-chloro-2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
2-[4-chloro-2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 539.46 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 126278154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).