[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-phenylbenzoate

C23H20FNO3 — CID 7229070

IUPAC[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-phenylbenzoate
SMILESO=C(COC(=O)c1ccccc1-c1ccccc1)NCCc1ccc(F)cc1
InChIInChI=1S/C23H20FNO3/c24-19-12-10-17(11-13-19)14-15-25-22(26)16-28-23(27)21-9-5-4-8-20(21)18-6-2-1-3-7-18/h1-13H,14-16H2,(H,25,26)
InChIKeyOCHCRJKHIPGRQI-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.01
Rot. Bonds7

About [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-phenylbenzoate

[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-phenylbenzoate (PubChem CID 7229070) has the molecular formula C23H20FNO3 and a molecular weight of 377.42 g/mol. Its IUPAC name is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-phenylbenzoate.

Molecular Properties

Compound Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-phenylbenzoate
PubChem CID7229070
Molecular FormulaC23H20FNO3
Molecular Weight377.42 g/mol
Exact Mass377.14
IUPAC Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-phenylbenzoate
SMILESO=C(COC(=O)c1ccccc1-c1ccccc1)NCCc1ccc(F)cc1
InChIInChI=1S/C23H20FNO3/c24-19-12-10-17(11-13-19)14-15-25-22(26)16-28-23(27)21-9-5-4-8-20(21)18-6-2-1-3-7-18/h1-13H,14-16H2,(H,25,26)
InChIKeyOCHCRJKHIPGRQI-UHFFFAOYSA-N
XLogP4.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate
CID 7863944
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 7722923
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229200
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-phenylimidazole-4-carboxylate
CID 18192289
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-phenylphenoxy)acetate
CID 8920134
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 55424719
[2-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229246
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate
CID 7783610
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 4792568
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602320
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
CID 8983699
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 7609921

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-phenylbenzoate?
The IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-phenylbenzoate (CID 7229070) is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-phenylbenzoate.
What is the SMILES notation for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-phenylbenzoate?
The canonical SMILES for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-phenylbenzoate is O=C(COC(=O)c1ccccc1-c1ccccc1)NCCc1ccc(F)cc1.
What is the InChIKey of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-phenylbenzoate?
The InChIKey is OCHCRJKHIPGRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO3/c24-19-12-10-17(11-13-19)14-15-25-22(26)16-28-23(27)21-9-5-4-8-20(21)18-6-2-1-3-7-18/h1-13H,14-16H2,(H,25,26).
What are the key properties of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-phenylbenzoate?
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-phenylbenzoate has a molecular weight of 377.42 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-phenylbenzoate is sourced from PubChem (CID 7229070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).