(2S)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-phenylbutanamide

C18H20FNO2 — CID 129358899

IUPAC(2S)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)N[C@H](CO)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H20FNO2/c1-2-16(13-7-4-3-5-8-13)18(22)20-17(12-21)14-9-6-10-15(19)11-14/h3-11,16-17,21H,2,12H2,1H3,(H,20,22)/t16-,17+/m0/s1
InChIKeyZTXLCIMNEPYUJK-DLBZAZTESA-N
MW301.36 g/mol
LogP3.17
Rot. Bonds6

About (2S)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-phenylbutanamide

(2S)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-phenylbutanamide (PubChem CID 129358899) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-phenylbutanamide
PubChem CID129358899
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name(2S)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)N[C@H](CO)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H20FNO2/c1-2-16(13-7-4-3-5-8-13)18(22)20-17(12-21)14-9-6-10-15(19)11-14/h3-11,16-17,21H,2,12H2,1H3,(H,20,22)/t16-,17+/m0/s1
InChIKeyZTXLCIMNEPYUJK-DLBZAZTESA-N
XLogP3.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-phenylbutanamide
CID 30526386
(2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide
CID 7369071
(2R)-2-(3-fluorophenyl)-2-(2-phenylethylamino)ethanol
CID 124885583
N-(3-fluorophenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide
CID 111798119
(2R)-N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)butanamide
CID 171688835
2-[2-(4-fluorophenyl)butanoylamino]butanoic acid
CID 120523263
2-[2-(4-fluorophenyl)butanoylamino]propanoic acid
CID 120523636
3-(2-phenylbutanoylamino)butanoic acid
CID 43240651
N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]formamide
CID 142183569
(2S)-4-hydroxy-2-(2-phenylbutanoylamino)butanoic acid
CID 67038648
(3S)-3-(4-chlorophenyl)-3-[[(2R)-2-phenylbutanoyl]amino]propanoic acid
CID 7045314
N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide
CID 43027690

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-phenylbutanamide?
The IUPAC name of (2S)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-phenylbutanamide (CID 129358899) is (2S)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-phenylbutanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-phenylbutanamide is CC[C@H](C(=O)N[C@H](CO)c1cccc(F)c1)c1ccccc1.
What is the InChIKey of (2S)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-phenylbutanamide?
The InChIKey is ZTXLCIMNEPYUJK-DLBZAZTESA-N. The full InChI is InChI=1S/C18H20FNO2/c1-2-16(13-7-4-3-5-8-13)18(22)20-17(12-21)14-9-6-10-15(19)11-14/h3-11,16-17,21H,2,12H2,1H3,(H,20,22)/t16-,17+/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-phenylbutanamide?
(2S)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-phenylbutanamide has a molecular weight of 301.36 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-phenylbutanamide is sourced from PubChem (CID 129358899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).