N-(4-fluorophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide

C18H21FN2O3 — CID 19241339

IUPACN-(4-fluorophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCC12CCC(C(=O)N(CC(=O)Nc3ccc(F)cc3)C1=O)C2(C)C
InChIInChI=1S/C18H21FN2O3/c1-17(2)13-8-9-18(17,3)16(24)21(15(13)23)10-14(22)20-12-6-4-11(19)5-7-12/h4-7,13H,8-10H2,1-3H3,(H,20,22)
InChIKeyXOSKSWWGGQDJJK-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.58
Rot. Bonds3

About N-(4-fluorophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide

N-(4-fluorophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide (PubChem CID 19241339) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
PubChem CID19241339
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC NameN-(4-fluorophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCC12CCC(C(=O)N(CC(=O)Nc3ccc(F)cc3)C1=O)C2(C)C
InChIInChI=1S/C18H21FN2O3/c1-17(2)13-8-9-18(17,3)16(24)21(15(13)23)10-14(22)20-12-6-4-11(19)5-7-12/h4-7,13H,8-10H2,1-3H3,(H,20,22)
InChIKeyXOSKSWWGGQDJJK-UHFFFAOYSA-N
XLogP2.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(4-nitrophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 19241390
N-(3-bromophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 19241341
N-[(2S)-4-(4-fluorophenyl)butan-2-yl]-2-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 51591751
N-(5-chloro-2-methylphenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 19241385
N-(2-methyl-4-nitrophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 19241398
(1S,5R)-3-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
CID 51592631
ethyl 4-[4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanoylamino]benzoate
CID 19241750
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 19242040
2-methylpropyl 4-[3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanoylamino]benzoate
CID 19241970
2-[(1R,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(4-fluorophenyl)acetamide
CID 7014575
methyl 4-ethyl-2-[[2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 19241462
2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-fluorophenyl)acetamide
CID 7336702

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide (CID 19241339) is N-(4-fluorophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide is CC12CCC(C(=O)N(CC(=O)Nc3ccc(F)cc3)C1=O)C2(C)C.
What is the InChIKey of N-(4-fluorophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The InChIKey is XOSKSWWGGQDJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-17(2)13-8-9-18(17,3)16(24)21(15(13)23)10-14(22)20-12-6-4-11(19)5-7-12/h4-7,13H,8-10H2,1-3H3,(H,20,22).
What are the key properties of N-(4-fluorophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
N-(4-fluorophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide has a molecular weight of 332.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide is sourced from PubChem (CID 19241339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).