(2R)-2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide

C14H18F3NO2 — CID 99828466

IUPAC(2R)-2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
SMILESC[C@@H](O)C(=O)NC(C)(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2/c1-9(19)12(20)18-13(2,3)8-10-4-6-11(7-5-10)14(15,16)17/h4-7,9,19H,8H2,1-3H3,(H,18,20)/t9-/m1/s1
InChIKeyYIIAOSNPQLEYAN-SECBINFHSA-N
MW289.30 g/mol
LogP2.52
Rot. Bonds4

About (2R)-2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide

(2R)-2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide (PubChem CID 99828466) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
PubChem CID99828466
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name(2R)-2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
SMILESC[C@@H](O)C(=O)NC(C)(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2/c1-9(19)12(20)18-13(2,3)8-10-4-6-11(7-5-10)14(15,16)17/h4-7,9,19H,8H2,1-3H3,(H,18,20)/t9-/m1/s1
InChIKeyYIIAOSNPQLEYAN-SECBINFHSA-N
XLogP2.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-n-(2-phenylethyl)propanamide
CID 223430
(E)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide
CID 11276349
(E,2S)-N-tert-butyl-2-hydroxy-4-[4-(trifluoromethyl)phenyl]but-3-enamide
CID 138982397
(E,2S)-N-tert-butyl-4-(2-fluorophenyl)-2-hydroxybut-3-enamide
CID 138982597
(E,2S)-N-tert-butyl-4-(4-fluorophenyl)-2-hydroxybut-3-enamide
CID 138982598
(E,2S)-N-tert-butyl-4-(3-fluorophenyl)-2-hydroxybut-3-enamide
CID 138982786
(E)-N-tert-butyl-2-hydroxy-3-methyl-4-phenylbut-3-enamide
CID 101254347
1,1,1-Trifluoro-3-[1-(4-methylphenyl)propan-2-ylamino]propan-2-ol
CID 23322156
N-[(4-tert-butylphenyl)methyl]-3,3,3-trifluoro-2-hydroxypropanamide
CID 69342802
N-[2-[3-(1,1-difluoroethyl)phenyl]ethyl]-2-hydroxyacetamide
CID 137545503
N-[3,3-difluoro-1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl]acetamide
CID 141355734
2-hydroxy-N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 155073790

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide?
The IUPAC name of (2R)-2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide (CID 99828466) is (2R)-2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide.
What is the SMILES notation for (2R)-2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide?
The canonical SMILES for (2R)-2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide is C[C@@H](O)C(=O)NC(C)(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide?
The InChIKey is YIIAOSNPQLEYAN-SECBINFHSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-9(19)12(20)18-13(2,3)8-10-4-6-11(7-5-10)14(15,16)17/h4-7,9,19H,8H2,1-3H3,(H,18,20)/t9-/m1/s1.
What are the key properties of (2R)-2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide?
(2R)-2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide has a molecular weight of 289.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide is sourced from PubChem (CID 99828466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).