(3R,4R)-4-(4-fluorophenyl)-4-hydroxy-3-methylbutanamide

C11H14FNO2 — CID 163672048

IUPAC(3R,4R)-4-(4-fluorophenyl)-4-hydroxy-3-methylbutanamide
SMILESC[C@H](CC(N)=O)[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO2/c1-7(6-10(13)14)11(15)8-2-4-9(12)5-3-8/h2-5,7,11,15H,6H2,1H3,(H2,13,14)/t7-,11-/m1/s1
InChIKeyJDKDCOVETXHURT-RDDDGLTNSA-N
MW211.24 g/mol
LogP1.37
Rot. Bonds4

About (3R,4R)-4-(4-fluorophenyl)-4-hydroxy-3-methylbutanamide

(3R,4R)-4-(4-fluorophenyl)-4-hydroxy-3-methylbutanamide (PubChem CID 163672048) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is (3R,4R)-4-(4-fluorophenyl)-4-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(3R,4R)-4-(4-fluorophenyl)-4-hydroxy-3-methylbutanamide
PubChem CID163672048
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name(3R,4R)-4-(4-fluorophenyl)-4-hydroxy-3-methylbutanamide
SMILESC[C@H](CC(N)=O)[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO2/c1-7(6-10(13)14)11(15)8-2-4-9(12)5-3-8/h2-5,7,11,15H,6H2,1H3,(H2,13,14)/t7-,11-/m1/s1
InChIKeyJDKDCOVETXHURT-RDDDGLTNSA-N
XLogP1.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)butanediamide
CID 69053213
3-(4-fluorophenyl)-3-methoxypropanamide
CID 69418867
3-(4-fluorophenyl)-4,4-dimethylpentanamide
CID 82080473
1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one
CID 75056323
2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride
CID 86346411
methyl 3-(4-fluorophenyl)-2,3-dihydroxypropanoate
CID 15056442
(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11414229
4-(4-fluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414690
(3S)-3-(4-fluorophenyl)-4-methoxy-4-methylpentanamide
CID 158718442
3-(4-fluorophenyl)-3-(methoxymethoxy)propanamide
CID 69414023
3-(4-fluorophenyl)-3-(propylamino)propanamide
CID 65235429
ethyl 4-(3,4-difluorophenyl)-4-hydroxy-3-methylbutanoate
CID 146576795

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(4-fluorophenyl)-4-hydroxy-3-methylbutanamide?
The IUPAC name of (3R,4R)-4-(4-fluorophenyl)-4-hydroxy-3-methylbutanamide (CID 163672048) is (3R,4R)-4-(4-fluorophenyl)-4-hydroxy-3-methylbutanamide.
What is the SMILES notation for (3R,4R)-4-(4-fluorophenyl)-4-hydroxy-3-methylbutanamide?
The canonical SMILES for (3R,4R)-4-(4-fluorophenyl)-4-hydroxy-3-methylbutanamide is C[C@H](CC(N)=O)[C@@H](O)c1ccc(F)cc1.
What is the InChIKey of (3R,4R)-4-(4-fluorophenyl)-4-hydroxy-3-methylbutanamide?
The InChIKey is JDKDCOVETXHURT-RDDDGLTNSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7(6-10(13)14)11(15)8-2-4-9(12)5-3-8/h2-5,7,11,15H,6H2,1H3,(H2,13,14)/t7-,11-/m1/s1.
What are the key properties of (3R,4R)-4-(4-fluorophenyl)-4-hydroxy-3-methylbutanamide?
(3R,4R)-4-(4-fluorophenyl)-4-hydroxy-3-methylbutanamide has a molecular weight of 211.24 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(4-fluorophenyl)-4-hydroxy-3-methylbutanamide is sourced from PubChem (CID 163672048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).