(2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide

C11H15FN2O2 — CID 119306982

IUPAC(2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide
SMILESC[C@H](N)C(=O)NCC(O)c1cccc(F)c1
InChIInChI=1S/C11H15FN2O2/c1-7(13)11(16)14-6-10(15)8-3-2-4-9(12)5-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)/t7-,10?/m0/s1
InChIKeyREFIUTMDRFNZBN-BYDSUWOYSA-N
MW226.25 g/mol
LogP0.32
Rot. Bonds4

About (2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide

(2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide (PubChem CID 119306982) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide
PubChem CID119306982
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name(2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide
SMILESC[C@H](N)C(=O)NCC(O)c1cccc(F)c1
InChIInChI=1S/C11H15FN2O2/c1-7(13)11(16)14-6-10(15)8-3-2-4-9(12)5-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)/t7-,10?/m0/s1
InChIKeyREFIUTMDRFNZBN-BYDSUWOYSA-N
XLogP0.32
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(methylamino)acetamide
CID 119755074
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)acetamide
CID 51094283
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
(2R)-2-amino-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 119293211
1-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]urea
CID 95587097
1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol
CID 60899473
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2,4,5-trifluorophenyl)acetamide
CID 167863503
1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 51102231

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide (CID 119306982) is (2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide is C[C@H](N)C(=O)NCC(O)c1cccc(F)c1.
What is the InChIKey of (2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide?
The InChIKey is REFIUTMDRFNZBN-BYDSUWOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7(13)11(16)14-6-10(15)8-3-2-4-9(12)5-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)/t7-,10?/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide?
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide has a molecular weight of 226.25 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide is sourced from PubChem (CID 119306982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).