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

C32H35FN2O4 — CID 126381461

IUPACN-(2-fluorophenyl)-2-[2-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
SMILESCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2OCC(=O)Nc2ccccc2F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C32H35FN2O4/c1-31(2)14-22-29(24(36)16-31)28(30-23(35(22)5)15-32(3,4)17-25(30)37)19-10-6-9-13-26(19)39-18-27(38)34-21-12-8-7-11-20(21)33/h6-13,28H,14-18H2,1-5H3,(H,34,38)
InChIKeyDRSYBFWGKSAMSZ-UHFFFAOYSA-N
MW530.64 g/mol
LogP6.16
Rot. Bonds5

About 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

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 (PubChem CID 126381461) has the molecular formula C32H35FN2O4 and a molecular weight of 530.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[2-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
PubChem CID126381461
Molecular FormulaC32H35FN2O4
Molecular Weight530.64 g/mol
Exact Mass530.26
IUPAC NameN-(2-fluorophenyl)-2-[2-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
SMILESCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2OCC(=O)Nc2ccccc2F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C32H35FN2O4/c1-31(2)14-22-29(24(36)16-31)28(30-23(35(22)5)15-32(3,4)17-25(30)37)19-10-6-9-13-26(19)39-18-27(38)34-21-12-8-7-11-20(21)33/h6-13,28H,14-18H2,1-5H3,(H,34,38)
InChIKeyDRSYBFWGKSAMSZ-UHFFFAOYSA-N
XLogP6.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.64
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-[2-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126228979
9-(2-ethoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 1072569
N-(2,3-dimethylphenyl)-2-[2-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide
CID 126262444
2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide
CID 126269667
N-(2-methylphenyl)-2-[2-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)phenoxy]acetamide
CID 126270396
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-[4-bromo-2-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 126262250
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
N-(3-methylphenyl)-2-[2-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide
CID 126263889
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
N-(2,3-dimethylphenyl)-2-[3-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126274725
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2OCC(=O)Nc2ccccc2F)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of 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?
The InChIKey is DRSYBFWGKSAMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN2O4/c1-31(2)14-22-29(24(36)16-31)28(30-23(35(22)5)15-32(3,4)17-25(30)37)19-10-6-9-13-26(19)39-18-27(38)34-21-12-8-7-11-20(21)33/h6-13,28H,14-18H2,1-5H3,(H,34,38).
What are the key properties of 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?
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 has a molecular weight of 530.64 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126381461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).