(2S)-2-(4-fluorophenyl)-2-hydroxy-N,3-diphenylpropanamide

C21H18FNO2 — CID 11522859

IUPAC(2S)-2-(4-fluorophenyl)-2-hydroxy-N,3-diphenylpropanamide
SMILESO=C(Nc1ccccc1)[C@](O)(Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H18FNO2/c22-18-13-11-17(12-14-18)21(25,15-16-7-3-1-4-8-16)20(24)23-19-9-5-2-6-10-19/h1-14,25H,15H2,(H,23,24)/t21-/m0/s1
InChIKeyXHWWQGPOGVAEIB-NRFANRHFSA-N
MW335.38 g/mol
LogP3.89
Rot. Bonds5

About (2S)-2-(4-fluorophenyl)-2-hydroxy-N,3-diphenylpropanamide

(2S)-2-(4-fluorophenyl)-2-hydroxy-N,3-diphenylpropanamide (PubChem CID 11522859) has the molecular formula C21H18FNO2 and a molecular weight of 335.38 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-2-hydroxy-N,3-diphenylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-2-hydroxy-N,3-diphenylpropanamide
PubChem CID11522859
Molecular FormulaC21H18FNO2
Molecular Weight335.38 g/mol
Exact Mass335.13
IUPAC Name(2S)-2-(4-fluorophenyl)-2-hydroxy-N,3-diphenylpropanamide
SMILESO=C(Nc1ccccc1)[C@](O)(Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H18FNO2/c22-18-13-11-17(12-14-18)21(25,15-16-7-3-1-4-8-16)20(24)23-19-9-5-2-6-10-19/h1-14,25H,15H2,(H,23,24)/t21-/m0/s1
InChIKeyXHWWQGPOGVAEIB-NRFANRHFSA-N
XLogP3.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-2-hydroxy-N,3-diphenylpropanamide?
The IUPAC name of (2S)-2-(4-fluorophenyl)-2-hydroxy-N,3-diphenylpropanamide (CID 11522859) is (2S)-2-(4-fluorophenyl)-2-hydroxy-N,3-diphenylpropanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-2-hydroxy-N,3-diphenylpropanamide?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-2-hydroxy-N,3-diphenylpropanamide is O=C(Nc1ccccc1)[C@](O)(Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-2-hydroxy-N,3-diphenylpropanamide?
The InChIKey is XHWWQGPOGVAEIB-NRFANRHFSA-N. The full InChI is InChI=1S/C21H18FNO2/c22-18-13-11-17(12-14-18)21(25,15-16-7-3-1-4-8-16)20(24)23-19-9-5-2-6-10-19/h1-14,25H,15H2,(H,23,24)/t21-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-2-hydroxy-N,3-diphenylpropanamide?
(2S)-2-(4-fluorophenyl)-2-hydroxy-N,3-diphenylpropanamide has a molecular weight of 335.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-2-hydroxy-N,3-diphenylpropanamide is sourced from PubChem (CID 11522859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).