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

C28H27FN2O4 — CID 3499493

IUPACN-(4-fluorophenyl)-2-[4-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide
SMILESCN1C2=C(C(=O)CCC2)C(c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C2=C1CCCC2=O
InChIInChI=1S/C28H27FN2O4/c1-31-21-4-2-6-23(32)27(21)26(28-22(31)5-3-7-24(28)33)17-8-14-20(15-9-17)35-16-25(34)30-19-12-10-18(29)11-13-19/h8-15,26H,2-7,16H2,1H3,(H,30,34)
InChIKeyIGDAGJXHRKLDIG-UHFFFAOYSA-N
MW474.53 g/mol
LogP4.89
Rot. Bonds5

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

N-(4-fluorophenyl)-2-[4-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide (PubChem CID 3499493) has the molecular formula C28H27FN2O4 and a molecular weight of 474.53 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide
PubChem CID3499493
Molecular FormulaC28H27FN2O4
Molecular Weight474.53 g/mol
Exact Mass474.20
IUPAC NameN-(4-fluorophenyl)-2-[4-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide
SMILESCN1C2=C(C(=O)CCC2)C(c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C2=C1CCCC2=O
InChIInChI=1S/C28H27FN2O4/c1-31-21-4-2-6-23(32)27(21)26(28-22(31)5-3-7-24(28)33)17-8-14-20(15-9-17)35-16-25(34)30-19-12-10-18(29)11-13-19/h8-15,26H,2-7,16H2,1H3,(H,30,34)
InChIKeyIGDAGJXHRKLDIG-UHFFFAOYSA-N
XLogP4.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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-[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-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
3-[9-[4-[(4-fluorophenyl)methoxy]phenyl]-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]propanoic acid
CID 126075981
2-(4-fluorophenoxy)-N-[4-(4-methylmorpholin-2-yl)phenyl]acetamide
CID 110720390
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
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
9-(4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 704550
2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 9323790
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-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

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide (CID 3499493) is N-(4-fluorophenyl)-2-[4-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide is CN1C2=C(C(=O)CCC2)C(c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C2=C1CCCC2=O.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide?
The InChIKey is IGDAGJXHRKLDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN2O4/c1-31-21-4-2-6-23(32)27(21)26(28-22(31)5-3-7-24(28)33)17-8-14-20(15-9-17)35-16-25(34)30-19-12-10-18(29)11-13-19/h8-15,26H,2-7,16H2,1H3,(H,30,34).
What are the key properties of N-(4-fluorophenyl)-2-[4-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide?
N-(4-fluorophenyl)-2-[4-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide has a molecular weight of 474.53 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide is sourced from PubChem (CID 3499493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).