[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate

C22H26FNO3 — CID 7772104

IUPAC[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
SMILESCC[C@@H](C)[C@@H](C(=O)OCC(=O)NCCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C22H26FNO3/c1-3-16(2)21(18-7-5-4-6-8-18)22(26)27-15-20(25)24-14-13-17-9-11-19(23)12-10-17/h4-12,16,21H,3,13-15H2,1-2H3,(H,24,25)/t16-,21-/m1/s1
InChIKeyZEHRFIAEHBNQCO-IIBYNOLFSA-N
MW371.45 g/mol
LogP3.86
Rot. Bonds9

About [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate

[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate (PubChem CID 7772104) has the molecular formula C22H26FNO3 and a molecular weight of 371.45 g/mol. Its IUPAC name is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate.

Molecular Properties

Compound Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
PubChem CID7772104
Molecular FormulaC22H26FNO3
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
SMILESCC[C@@H](C)[C@@H](C(=O)OCC(=O)NCCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C22H26FNO3/c1-3-16(2)21(18-7-5-4-6-8-18)22(26)27-15-20(25)24-14-13-17-9-11-19(23)12-10-17/h4-12,16,21H,3,13-15H2,1-2H3,(H,24,25)/t16-,21-/m1/s1
InChIKeyZEHRFIAEHBNQCO-IIBYNOLFSA-N
XLogP3.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate with MolForge

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Related Compounds

[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7773154
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
CID 7806277
[2-oxo-2-(2-phenylethylamino)ethyl] (2R)-2-phenylbutanoate
CID 7811561
N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
CID 2914347
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7772354
2-[acetyl(1-phenylethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113161982
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772337
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7209221
[2-(ethoxycarbonylamino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
CID 7772689
[2-(4-acetamidoanilino)-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7773183
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(4-fluorophenyl)acetate
CID 9198812
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7772303

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate?
The IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate (CID 7772104) is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate.
What is the SMILES notation for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate?
The canonical SMILES for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate is CC[C@@H](C)[C@@H](C(=O)OCC(=O)NCCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate?
The InChIKey is ZEHRFIAEHBNQCO-IIBYNOLFSA-N. The full InChI is InChI=1S/C22H26FNO3/c1-3-16(2)21(18-7-5-4-6-8-18)22(26)27-15-20(25)24-14-13-17-9-11-19(23)12-10-17/h4-12,16,21H,3,13-15H2,1-2H3,(H,24,25)/t16-,21-/m1/s1.
What are the key properties of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate?
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate has a molecular weight of 371.45 g/mol, XLogP of 3.86, 9 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] (2R,3R)-3-methyl-2-phenylpentanoate is sourced from PubChem (CID 7772104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).