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

C33H36Cl2N2O4 — CID 126231587

IUPAC2-[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
SMILESCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C33H36Cl2N2O4/c1-6-37-23-14-32(2,3)16-25(38)30(23)29(31-24(37)15-33(4,5)17-26(31)39)22-13-20(35)9-12-27(22)41-18-28(40)36-21-10-7-19(34)8-11-21/h7-13,29H,6,14-18H2,1-5H3,(H,36,40)
InChIKeyQAFRRPVNJDPASA-UHFFFAOYSA-N
MW595.57 g/mol
LogP7.72
Rot. Bonds6

About 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

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 (PubChem CID 126231587) has the molecular formula C33H36Cl2N2O4 and a molecular weight of 595.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID126231587
Molecular FormulaC33H36Cl2N2O4
Molecular Weight595.57 g/mol
Exact Mass594.21
IUPAC Name2-[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
SMILESCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C33H36Cl2N2O4/c1-6-37-23-14-32(2,3)16-25(38)30(23)29(31-24(37)15-33(4,5)17-26(31)39)22-13-20(35)9-12-27(22)41-18-28(40)36-21-10-7-19(34)8-11-21/h7-13,29H,6,14-18H2,1-5H3,(H,36,40)
InChIKeyQAFRRPVNJDPASA-UHFFFAOYSA-N
XLogP7.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.57
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

2-[2-chloro-4-(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 126231686
2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-4-chlorophenoxy]-N-phenylacetamide
CID 126269600
2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-4-chlorophenoxy]-N-(4-methylphenyl)acetamide
CID 126272625
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-(2,4-dimethylphenyl)acetamide
CID 126259519
2-[2,6-dichloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 126230876
2-[4-bromo-2-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-methylacetamide
CID 46741693
2-[2-chloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 126229288
2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2,6-dichlorophenoxy]-N-(4-chlorophenyl)acetamide
CID 126267921
2-[4-bromo-2-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 126278652
N-(3,4-dimethylphenyl)-2-[2-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126254102
2-[2-bromo-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide
CID 126260910
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of 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?
The InChIKey is QAFRRPVNJDPASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36Cl2N2O4/c1-6-37-23-14-32(2,3)16-25(38)30(23)29(31-24(37)15-33(4,5)17-26(31)39)22-13-20(35)9-12-27(22)41-18-28(40)36-21-10-7-19(34)8-11-21/h7-13,29H,6,14-18H2,1-5H3,(H,36,40).
What are the key properties of 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?
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 has a molecular weight of 595.57 g/mol, XLogP of 7.72, 6 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-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 126231587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).