[(2R)-1-anilino-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate

C18H18FNO3 — CID 8553372

IUPAC[(2R)-1-anilino-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
SMILESC[C@@H](OC(=O)CCc1ccc(F)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C18H18FNO3/c1-13(18(22)20-16-5-3-2-4-6-16)23-17(21)12-9-14-7-10-15(19)11-8-14/h2-8,10-11,13H,9,12H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyMONPOKPIPNJCNA-CYBMUJFWSA-N
MW315.34 g/mol
LogP3.33
Rot. Bonds6

About [(2R)-1-anilino-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate

[(2R)-1-anilino-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate (PubChem CID 8553372) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is [(2R)-1-anilino-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate.

Molecular Properties

Compound Name[(2R)-1-anilino-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
PubChem CID8553372
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name[(2R)-1-anilino-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
SMILESC[C@@H](OC(=O)CCc1ccc(F)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C18H18FNO3/c1-13(18(22)20-16-5-3-2-4-6-16)23-17(21)12-9-14-7-10-15(19)11-8-14/h2-8,10-11,13H,9,12H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyMONPOKPIPNJCNA-CYBMUJFWSA-N
XLogP3.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
CID 8552348
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
CID 8553222
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
CID 8553005
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate
CID 16609295
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874804
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
CID 8553681
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 7759142
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate
CID 7654441
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3-phenylpropanoate
CID 7654630
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
CID 8553032
[(2S)-1-anilino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590345
[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(4-fluorophenyl)acetate
CID 7759131

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-anilino-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate?
The IUPAC name of [(2R)-1-anilino-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate (CID 8553372) is [(2R)-1-anilino-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate.
What is the SMILES notation for [(2R)-1-anilino-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate?
The canonical SMILES for [(2R)-1-anilino-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate is C[C@@H](OC(=O)CCc1ccc(F)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of [(2R)-1-anilino-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate?
The InChIKey is MONPOKPIPNJCNA-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-13(18(22)20-16-5-3-2-4-6-16)23-17(21)12-9-14-7-10-15(19)11-8-14/h2-8,10-11,13H,9,12H2,1H3,(H,20,22)/t13-/m1/s1.
What are the key properties of [(2R)-1-anilino-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate?
[(2R)-1-anilino-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate has a molecular weight of 315.34 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-anilino-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate is sourced from PubChem (CID 8553372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).