N-(2-fluorophenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]acetamide

C32H35FN2O5 — CID 126388050

IUPACN-(2-fluorophenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]acetamide
SMILESCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1ccccc1F
InChIInChI=1S/C32H35FN2O5/c1-31(2)13-21-29(23(36)15-31)28(30-22(34-21)14-32(3,4)16-24(30)37)18-10-11-25(26(12-18)39-5)40-17-27(38)35-20-9-7-6-8-19(20)33/h6-12,28,34H,13-17H2,1-5H3,(H,35,38)
InChIKeyVTMYTGWPKPNMGK-UHFFFAOYSA-N
MW546.64 g/mol
LogP5.82
Rot. Bonds6

About N-(2-fluorophenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]acetamide

N-(2-fluorophenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]acetamide (PubChem CID 126388050) has the molecular formula C32H35FN2O5 and a molecular weight of 546.64 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]acetamide
PubChem CID126388050
Molecular FormulaC32H35FN2O5
Molecular Weight546.64 g/mol
Exact Mass546.25
IUPAC NameN-(2-fluorophenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]acetamide
SMILESCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1ccccc1F
InChIInChI=1S/C32H35FN2O5/c1-31(2)13-21-29(23(36)15-31)28(30-22(34-21)14-32(3,4)16-24(30)37)18-10-11-25(26(12-18)39-5)40-17-27(38)35-20-9-7-6-8-19(20)33/h6-12,28,34H,13-17H2,1-5H3,(H,35,38)
InChIKeyVTMYTGWPKPNMGK-UHFFFAOYSA-N
XLogP5.82
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.64
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-fluorophenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]acetamide with MolForge

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Related Compounds

2-[2-ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]-N-(4-fluorophenyl)acetamide
CID 126369111
2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-methoxyphenoxy]-N-(2-fluorophenyl)acetamide
CID 126390665
2-[2-bromo-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]-N-(4-fluorophenyl)acetamide
CID 126369645
2-[2-chloro-6-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide
CID 126272737
N-(2,3-dimethylphenyl)-2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)-2-methoxyphenoxy]acetamide
CID 126265320
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
9-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 2884797
N-(4-chlorophenyl)-2-[2-iodo-6-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]acetamide
CID 126230156
2-[2-bromo-6-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]-N-(4-chlorophenyl)acetamide
CID 126229436
N-(2-fluorophenyl)-2-[2-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126381461
2-[2-chloro-6-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126266980
N-(2,5-dimethylphenyl)-2-[2-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]acetamide
CID 126258420

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]acetamide (CID 126388050) is N-(2-fluorophenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]acetamide is COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]acetamide?
The InChIKey is VTMYTGWPKPNMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN2O5/c1-31(2)13-21-29(23(36)15-31)28(30-22(34-21)14-32(3,4)16-24(30)37)18-10-11-25(26(12-18)39-5)40-17-27(38)35-20-9-7-6-8-19(20)33/h6-12,28,34H,13-17H2,1-5H3,(H,35,38).
What are the key properties of N-(2-fluorophenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]acetamide?
N-(2-fluorophenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]acetamide has a molecular weight of 546.64 g/mol, XLogP of 5.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]acetamide is sourced from PubChem (CID 126388050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).