2-[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-chlorophenyl)acetamide

C27H24BrClN2O4 — CID 126276450

IUPAC2-[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-chlorophenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2)Nc1ccccc1Cl
InChIInChI=1S/C27H24BrClN2O4/c28-15-11-12-23(35-14-24(34)31-18-6-2-1-5-17(18)29)16(13-15)25-26-19(7-3-9-21(26)32)30-20-8-4-10-22(33)27(20)25/h1-2,5-6,11-13,25,30H,3-4,7-10,14H2,(H,31,34)
InChIKeyOSCZPPATOGKORT-UHFFFAOYSA-N
MW555.86 g/mol
LogP5.82
Rot. Bonds5

About 2-[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-chlorophenyl)acetamide

2-[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-chlorophenyl)acetamide (PubChem CID 126276450) has the molecular formula C27H24BrClN2O4 and a molecular weight of 555.86 g/mol. Its IUPAC name is 2-[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-chlorophenyl)acetamide
PubChem CID126276450
Molecular FormulaC27H24BrClN2O4
Molecular Weight555.86 g/mol
Exact Mass554.06
IUPAC Name2-[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-chlorophenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2)Nc1ccccc1Cl
InChIInChI=1S/C27H24BrClN2O4/c28-15-11-12-23(35-14-24(34)31-18-6-2-1-5-17(18)29)16(13-15)25-26-19(7-3-9-21(26)32)30-20-8-4-10-22(33)27(20)25/h1-2,5-6,11-13,25,30H,3-4,7-10,14H2,(H,31,34)
InChIKeyOSCZPPATOGKORT-UHFFFAOYSA-N
XLogP5.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.86
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-chlorophenyl)acetamide with MolForge

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Related Compounds

2-[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126261985
2-[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 126233934
2-[4-chloro-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-methoxyphenyl)acetamide
CID 126387751
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-[2-bromo-4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)-6-methoxyphenoxy]-N-(2-chlorophenyl)acetamide
CID 126265816
2-[4-bromo-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]-N-(2-methylphenyl)acetamide
CID 126273488
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
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-chloro-4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 126267954
2-[2-chloro-4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(4-chlorophenyl)acetamide
CID 126229255
2-[2,6-dibromo-4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-phenylacetamide
CID 126266792
2-[2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetamide
CID 126228400

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-chlorophenyl)acetamide (CID 126276450) is 2-[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-chlorophenyl)acetamide is O=C(COc1ccc(Br)cc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2)Nc1ccccc1Cl.
What is the InChIKey of 2-[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-chlorophenyl)acetamide?
The InChIKey is OSCZPPATOGKORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24BrClN2O4/c28-15-11-12-23(35-14-24(34)31-18-6-2-1-5-17(18)29)16(13-15)25-26-19(7-3-9-21(26)32)30-20-8-4-10-22(33)27(20)25/h1-2,5-6,11-13,25,30H,3-4,7-10,14H2,(H,31,34).
What are the key properties of 2-[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-chlorophenyl)acetamide?
2-[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-chlorophenyl)acetamide has a molecular weight of 555.86 g/mol, XLogP of 5.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 126276450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).