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

C23H18FNO4 — CID 2099293

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-benzoylbenzoate
SMILESO=C(COC(=O)c1ccccc1C(=O)c1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C23H18FNO4/c24-18-12-10-16(11-13-18)14-25-21(26)15-29-23(28)20-9-5-4-8-19(20)22(27)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,25,26)
InChIKeyFHPFVHDAYAJAMW-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.53
Rot. Bonds7

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

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-benzoylbenzoate (PubChem CID 2099293) has the molecular formula C23H18FNO4 and a molecular weight of 391.40 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-benzoylbenzoate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-benzoylbenzoate
PubChem CID2099293
Molecular FormulaC23H18FNO4
Molecular Weight391.40 g/mol
Exact Mass391.12
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-benzoylbenzoate
SMILESO=C(COC(=O)c1ccccc1C(=O)c1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C23H18FNO4/c24-18-12-10-16(11-13-18)14-25-21(26)15-29-23(28)20-9-5-4-8-19(20)22(27)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,25,26)
InChIKeyFHPFVHDAYAJAMW-UHFFFAOYSA-N
XLogP3.53
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-benzoylbenzoate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-benzoylbenzoate (CID 2099293) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-benzoylbenzoate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-benzoylbenzoate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-benzoylbenzoate is O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-benzoylbenzoate?
The InChIKey is FHPFVHDAYAJAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO4/c24-18-12-10-16(11-13-18)14-25-21(26)15-29-23(28)20-9-5-4-8-19(20)22(27)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,25,26).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-benzoylbenzoate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-benzoylbenzoate has a molecular weight of 391.40 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-benzoylbenzoate is sourced from PubChem (CID 2099293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).