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

C29H28BrClN2O4 — CID 126231423

IUPAC2-[2-bromo-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(4-chlorophenyl)acetamide
SMILESCCN1C2=C(C(=O)CCC2)C(c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)C2=C1CCCC2=O
InChIInChI=1S/C29H28BrClN2O4/c1-2-33-21-5-3-7-23(34)28(21)27(29-22(33)6-4-8-24(29)35)17-9-14-25(20(30)15-17)37-16-26(36)32-19-12-10-18(31)11-13-19/h9-15,27H,2-8,16H2,1H3,(H,32,36)
InChIKeyMDOITJFSVHGCIH-UHFFFAOYSA-N
MW583.91 g/mol
LogP6.55
Rot. Bonds6

About 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

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 (PubChem CID 126231423) has the molecular formula C29H28BrClN2O4 and a molecular weight of 583.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[2-bromo-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(4-chlorophenyl)acetamide
PubChem CID126231423
Molecular FormulaC29H28BrClN2O4
Molecular Weight583.91 g/mol
Exact Mass582.09
IUPAC Name2-[2-bromo-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(4-chlorophenyl)acetamide
SMILESCCN1C2=C(C(=O)CCC2)C(c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)C2=C1CCCC2=O
InChIInChI=1S/C29H28BrClN2O4/c1-2-33-21-5-3-7-23(34)28(21)27(29-22(33)6-4-8-24(29)35)17-9-14-25(20(30)15-17)37-16-26(36)32-19-12-10-18(31)11-13-19/h9-15,27H,2-8,16H2,1H3,(H,32,36)
InChIKeyMDOITJFSVHGCIH-UHFFFAOYSA-N
XLogP6.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.91
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

2-[2-bromo-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetic acid
CID 126069940
N-(4-chlorophenyl)-2-[2,4-dibromo-6-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126279084
2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 126232642
2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
CID 126388850
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-ethoxy-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(4-methoxyphenyl)acetamide
CID 126383018
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-bromo-6-ethoxy-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-phenylacetamide
CID 126271386
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-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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1C2=C(C(=O)CCC2)C(c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)C2=C1CCCC2=O.
What is the InChIKey of 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?
The InChIKey is MDOITJFSVHGCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28BrClN2O4/c1-2-33-21-5-3-7-23(34)28(21)27(29-22(33)6-4-8-24(29)35)17-9-14-25(20(30)15-17)37-16-26(36)32-19-12-10-18(31)11-13-19/h9-15,27H,2-8,16H2,1H3,(H,32,36).
What are the key properties of 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?
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 has a molecular weight of 583.91 g/mol, XLogP of 6.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126231423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).