[2-(2-fluorophenyl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate

C20H20FNO4 — CID 2429922

IUPAC[2-(2-fluorophenyl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
SMILESCC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)c1ccccc1F
InChIInChI=1S/C20H20FNO4/c1-13(2)18(22-19(24)14-8-4-3-5-9-14)20(25)26-12-17(23)15-10-6-7-11-16(15)21/h3-11,13,18H,12H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyFXMMIPQDSHYUPE-SFHVURJKSA-N
MW357.38 g/mol
LogP3.01
Rot. Bonds7

About [2-(2-fluorophenyl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate

[2-(2-fluorophenyl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate (PubChem CID 2429922) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
PubChem CID2429922
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Name[2-(2-fluorophenyl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
SMILESCC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)c1ccccc1F
InChIInChI=1S/C20H20FNO4/c1-13(2)18(22-19(24)14-8-4-3-5-9-14)20(25)26-12-17(23)15-10-6-7-11-16(15)21/h3-11,13,18H,12H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyFXMMIPQDSHYUPE-SFHVURJKSA-N
XLogP3.01
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2-fluorophenyl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate?
The IUPAC name of [2-(2-fluorophenyl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate (CID 2429922) is [2-(2-fluorophenyl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate.
What is the SMILES notation for [2-(2-fluorophenyl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate?
The canonical SMILES for [2-(2-fluorophenyl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate is CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)c1ccccc1F.
What is the InChIKey of [2-(2-fluorophenyl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate?
The InChIKey is FXMMIPQDSHYUPE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20FNO4/c1-13(2)18(22-19(24)14-8-4-3-5-9-14)20(25)26-12-17(23)15-10-6-7-11-16(15)21/h3-11,13,18H,12H2,1-2H3,(H,22,24)/t18-/m0/s1.
What are the key properties of [2-(2-fluorophenyl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate?
[2-(2-fluorophenyl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate has a molecular weight of 357.38 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate is sourced from PubChem (CID 2429922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).