2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide

C17H18FNO2 — CID 110001804

IUPAC2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide
SMILESCC(C(=O)N[C@H](CO)c1ccccc1)c1ccccc1F
InChIInChI=1S/C17H18FNO2/c1-12(14-9-5-6-10-15(14)18)17(21)19-16(11-20)13-7-3-2-4-8-13/h2-10,12,16,20H,11H2,1H3,(H,19,21)/t12?,16-/m1/s1
InChIKeyDHTGSXKBWIGNEX-PVQCJRHBSA-N
MW287.33 g/mol
LogP2.78
Rot. Bonds5

About 2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide

2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide (PubChem CID 110001804) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide
PubChem CID110001804
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide
SMILESCC(C(=O)N[C@H](CO)c1ccccc1)c1ccccc1F
InChIInChI=1S/C17H18FNO2/c1-12(14-9-5-6-10-15(14)18)17(21)19-16(11-20)13-7-3-2-4-8-13/h2-10,12,16,20H,11H2,1H3,(H,19,21)/t12?,16-/m1/s1
InChIKeyDHTGSXKBWIGNEX-PVQCJRHBSA-N
XLogP2.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11495934
[(2S)-2-[[(2R)-2-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]pent-4-enoyl]amino]propyl] (2S)-2-[(4-fluorophenyl)methyl]pent-4-enoate
CID 44201465
[(2S)-2-[[(2S)-2-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]pent-4-enoyl]amino]propyl] (2S)-2-[(4-fluorophenyl)methyl]hex-5-enoate
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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide (CID 110001804) is 2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide is CC(C(=O)N[C@H](CO)c1ccccc1)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide?
The InChIKey is DHTGSXKBWIGNEX-PVQCJRHBSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12(14-9-5-6-10-15(14)18)17(21)19-16(11-20)13-7-3-2-4-8-13/h2-10,12,16,20H,11H2,1H3,(H,19,21)/t12?,16-/m1/s1.
What are the key properties of 2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide?
2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide has a molecular weight of 287.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide is sourced from PubChem (CID 110001804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).