(3R)-3-(4-fluorophenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide

C19H22FNO3 — CID 11370953

IUPAC(3R)-3-(4-fluorophenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)C[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO3/c1-13(19(24)15-6-4-3-5-7-15)21(2)18(23)12-17(22)14-8-10-16(20)11-9-14/h3-11,13,17,19,22,24H,12H2,1-2H3/t13-,17+,19+/m0/s1
InChIKeyGEPBETRGZRMUEV-BOFPYLFWSA-N
MW331.39 g/mol
LogP2.83
Rot. Bonds6

About (3R)-3-(4-fluorophenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide

(3R)-3-(4-fluorophenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide (PubChem CID 11370953) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
PubChem CID11370953
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name(3R)-3-(4-fluorophenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)C[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO3/c1-13(19(24)15-6-4-3-5-7-15)21(2)18(23)12-17(22)14-8-10-16(20)11-9-14/h3-11,13,17,19,22,24H,12H2,1-2H3/t13-,17+,19+/m0/s1
InChIKeyGEPBETRGZRMUEV-BOFPYLFWSA-N
XLogP2.83
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-(4-fluorophenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-(3,5-dimethoxyphenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11349310
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
(3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-(2-nitrophenyl)propanamide
CID 11199140
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide
CID 54856748
(3S)-3-(dibenzylamino)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 11179393
3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-methylamino]propanoic acid
CID 82313139
(4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one
CID 93049323
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyloctanamide
CID 54856883
3-[4-(4-fluorophenoxy)phenyl]-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-1-methylurea
CID 10949261
(2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpentanamide
CID 100922135
(3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 89304540
tert-butyl N-[(2R,3S)-3-hydroxy-5-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-5-oxo-1-phenylpentan-2-yl]-N-methylcarbamate
CID 51031967

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide?
The IUPAC name of (3R)-3-(4-fluorophenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide (CID 11370953) is (3R)-3-(4-fluorophenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide.
What is the SMILES notation for (3R)-3-(4-fluorophenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide?
The canonical SMILES for (3R)-3-(4-fluorophenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide is C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)C[C@@H](O)c1ccc(F)cc1.
What is the InChIKey of (3R)-3-(4-fluorophenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide?
The InChIKey is GEPBETRGZRMUEV-BOFPYLFWSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-13(19(24)15-6-4-3-5-7-15)21(2)18(23)12-17(22)14-8-10-16(20)11-9-14/h3-11,13,17,19,22,24H,12H2,1-2H3/t13-,17+,19+/m0/s1.
What are the key properties of (3R)-3-(4-fluorophenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide?
(3R)-3-(4-fluorophenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide has a molecular weight of 331.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-fluorophenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide is sourced from PubChem (CID 11370953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).