[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate

C23H20FNO3 — CID 16576152

IUPAC[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate
SMILESCN(Cc1ccc(F)cc1)C(=O)COC(=O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C23H20FNO3/c1-25(13-15-5-10-18(24)11-6-15)21(26)14-28-23(27)20-12-9-17-8-7-16-3-2-4-19(20)22(16)17/h2-6,9-12H,7-8,13-14H2,1H3
InChIKeyYABSBJMUPZYELR-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.89
Rot. Bonds5

About [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate

[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate (PubChem CID 16576152) has the molecular formula C23H20FNO3 and a molecular weight of 377.42 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate
PubChem CID16576152
Molecular FormulaC23H20FNO3
Molecular Weight377.42 g/mol
Exact Mass377.14
IUPAC Name[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate
SMILESCN(Cc1ccc(F)cc1)C(=O)COC(=O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C23H20FNO3/c1-25(13-15-5-10-18(24)11-6-15)21(26)14-28-23(27)20-12-9-17-8-7-16-3-2-4-19(20)22(16)17/h2-6,9-12H,7-8,13-14H2,1H3
InChIKeyYABSBJMUPZYELR-UHFFFAOYSA-N
XLogP3.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-O-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505379
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 16529880
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate
CID 46790237
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate
CID 18080618
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-ethylindole-3-carboxylate
CID 46518993
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327365
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 18080610
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-benzoylbenzoate
CID 7203975
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837530
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 18080617
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 18157997
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7789222

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate?
The IUPAC name of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate (CID 16576152) is [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate?
The canonical SMILES for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate is CN(Cc1ccc(F)cc1)C(=O)COC(=O)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate?
The InChIKey is YABSBJMUPZYELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO3/c1-25(13-15-5-10-18(24)11-6-15)21(26)14-28-23(27)20-12-9-17-8-7-16-3-2-4-19(20)22(16)17/h2-6,9-12H,7-8,13-14H2,1H3.
What are the key properties of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate?
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate has a molecular weight of 377.42 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate is sourced from PubChem (CID 16576152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).