[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

C24H22FNO4 — CID 8579187

IUPAC[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESCN(Cc1ccccc1F)C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22FNO4/c1-26(16-18-10-8-9-15-21(18)25)22(27)17-30-23(28)24(29,19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-15,29H,16-17H2,1H3
InChIKeyOZVAKZXSEFNJMB-UHFFFAOYSA-N
MW407.44 g/mol
LogP3.26
Rot. Bonds7

About [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 8579187) has the molecular formula C24H22FNO4 and a molecular weight of 407.44 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
PubChem CID8579187
Molecular FormulaC24H22FNO4
Molecular Weight407.44 g/mol
Exact Mass407.15
IUPAC Name[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESCN(Cc1ccccc1F)C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22FNO4/c1-26(16-18-10-8-9-15-21(18)25)22(27)17-30-23(28)24(29,19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-15,29H,16-17H2,1H3
InChIKeyOZVAKZXSEFNJMB-UHFFFAOYSA-N
XLogP3.26
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Mepenzolate
CID 4057
Pipenzolate
CID 4832
Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 1-methyl-3-piperidinyl ester
CID 62495
1-Ethyl-3-piperidinyl alpha-hydroxy-alpha-phenylbenzeneacetate
CID 62504
Pipethanate Ethobromide
CID 168088
2-(1-Piperidinyl)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate
CID 20674
Bevonium
CID 31800
(1-Benzyl-4-piperidyl) 2-hydroxy-2,2-diphenyl-acetate
CID 298395
(R)-Mepenzolate
CID 688520
[1-[(4-Fluorophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate
CID 15636671
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-hydroxy-2,2-diphenylacetate
CID 16285319
1-Benzyl-3-pyrrolidinyl hydroxy(diphenyl)acetate
CID 380023

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (CID 8579187) is [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is CN(Cc1ccccc1F)C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is OZVAKZXSEFNJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO4/c1-26(16-18-10-8-9-15-21(18)25)22(27)17-30-23(28)24(29,19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-15,29H,16-17H2,1H3.
What are the key properties of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 407.44 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 8579187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).