N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide

C13H16F3NO2 — CID 135133777

IUPACN-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide
SMILESCC(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)C(C)(C)O
InChIInChI=1S/C13H16F3NO2/c1-8(18)17-11(12(2,3)19)9-4-6-10(7-5-9)13(14,15)16/h4-7,11,19H,1-3H3,(H,17,18)/t11-/m0/s1
InChIKeyJBMQZTKEVRFVLX-NSHDSACASA-N
MW275.27 g/mol
LogP2.65
Rot. Bonds3

About N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide

N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide (PubChem CID 135133777) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide
PubChem CID135133777
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide
SMILESCC(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)C(C)(C)O
InChIInChI=1S/C13H16F3NO2/c1-8(18)17-11(12(2,3)19)9-4-6-10(7-5-9)13(14,15)16/h4-7,11,19H,1-3H3,(H,17,18)/t11-/m0/s1
InChIKeyJBMQZTKEVRFVLX-NSHDSACASA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide
CID 122703321
(4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 11593826
3-[4-(trifluoromethyl)phenyl]pentan-2-one
CID 63196921
(3S)-3-acetamido-3-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26700777
2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 43711973
4-amino-4-methyl-3-[4-(trifluoromethyl)phenyl]pentanoic acid
CID 66090940
dichloromethane;1-[4-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone
CID 90933922
tert-butyl N-[2,3-dihydroxy-1-[4-(trifluoromethyl)phenyl]propyl]carbamate
CID 76571202
3-bromo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 113385199
diethyl 2-[(S)-[(2-methylpropan-2-yl)oxycarbonylamino]-[4-(trifluoromethyl)phenyl]methyl]propanedioate
CID 101431703
3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 46689046
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 2766034

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide?
The IUPAC name of N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide (CID 135133777) is N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide?
The canonical SMILES for N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide is CC(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)C(C)(C)O.
What is the InChIKey of N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide?
The InChIKey is JBMQZTKEVRFVLX-NSHDSACASA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-8(18)17-11(12(2,3)19)9-4-6-10(7-5-9)13(14,15)16/h4-7,11,19H,1-3H3,(H,17,18)/t11-/m0/s1.
What are the key properties of N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide?
N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide has a molecular weight of 275.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide is sourced from PubChem (CID 135133777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).