[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate

C24H20FNO4 — CID 46790237

IUPAC[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate
SMILESCN(Cc1ccc(F)cc1)C(=O)COC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C24H20FNO4/c1-26(15-17-11-13-19(25)14-12-17)22(27)16-30-24(29)21-10-6-5-9-20(21)23(28)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3
InChIKeyAPIIHVAOQQYLNQ-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.87
Rot. Bonds7

About [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate

[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate (PubChem CID 46790237) has the molecular formula C24H20FNO4 and a molecular weight of 405.43 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate
PubChem CID46790237
Molecular FormulaC24H20FNO4
Molecular Weight405.43 g/mol
Exact Mass405.14
IUPAC Name[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate
SMILESCN(Cc1ccc(F)cc1)C(=O)COC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C24H20FNO4/c1-26(15-17-11-13-19(25)14-12-17)22(27)16-30-24(29)21-10-6-5-9-20(21)23(28)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3
InChIKeyAPIIHVAOQQYLNQ-UHFFFAOYSA-N
XLogP3.87
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-benzoylbenzoate
CID 7203975
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-(methylamino)benzoate
CID 18080618
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327365
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 7612366
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 18080610
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate
CID 8860058
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 16529880
2-O-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504869
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-ethylindole-3-carboxylate
CID 46518993
[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

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate?
The IUPAC name of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate (CID 46790237) is [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate?
The canonical SMILES for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate is CN(Cc1ccc(F)cc1)C(=O)COC(=O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate?
The InChIKey is APIIHVAOQQYLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO4/c1-26(15-17-11-13-19(25)14-12-17)22(27)16-30-24(29)21-10-6-5-9-20(21)23(28)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3.
What are the key properties of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate?
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate has a molecular weight of 405.43 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate is sourced from PubChem (CID 46790237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).