N-[(2S)-2-hydroxy-3-methoxypropyl]-2-[2-(trifluoromethyl)phenyl]acetamide

C13H16F3NO3 — CID 97237905

IUPACN-[(2S)-2-hydroxy-3-methoxypropyl]-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOC[C@@H](O)CNC(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO3/c1-20-8-10(18)7-17-12(19)6-9-4-2-3-5-11(9)13(14,15)16/h2-5,10,18H,6-8H2,1H3,(H,17,19)/t10-/m0/s1
InChIKeyQTVYJUFFJALZGG-JTQLQIEISA-N
MW291.27 g/mol
LogP1.37
Rot. Bonds6

About N-[(2S)-2-hydroxy-3-methoxypropyl]-2-[2-(trifluoromethyl)phenyl]acetamide

N-[(2S)-2-hydroxy-3-methoxypropyl]-2-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 97237905) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-methoxypropyl]-2-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-methoxypropyl]-2-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID97237905
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC NameN-[(2S)-2-hydroxy-3-methoxypropyl]-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOC[C@@H](O)CNC(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO3/c1-20-8-10(18)7-17-12(19)6-9-4-2-3-5-11(9)13(14,15)16/h2-5,10,18H,6-8H2,1H3,(H,17,19)/t10-/m0/s1
InChIKeyQTVYJUFFJALZGG-JTQLQIEISA-N
XLogP1.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480450
4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 126520228
1-(2-methoxyethoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 106989058
2-(2-methoxyethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 79282836
N-(3-aminobutyl)-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119496810
N-(2-methoxyethoxy)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 82714629
methyl 2-oxo-3-[2-(trifluoromethyl)phenyl]propanoate
CID 18370722
1-(2-hydroxypropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 117235456
methyl 2-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]propanoate
CID 62881824
2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 112686778
2-(4-bromo-3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide
CID 97240175
N-(2-chloro-3-methoxypropyl)-2-naphthalen-1-ylacetamide
CID 114298908

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-3-methoxypropyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-methoxypropyl]-2-[2-(trifluoromethyl)phenyl]acetamide (CID 97237905) is N-[(2S)-2-hydroxy-3-methoxypropyl]-2-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-methoxypropyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-methoxypropyl]-2-[2-(trifluoromethyl)phenyl]acetamide is COC[C@@H](O)CNC(=O)Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2S)-2-hydroxy-3-methoxypropyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QTVYJUFFJALZGG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-20-8-10(18)7-17-12(19)6-9-4-2-3-5-11(9)13(14,15)16/h2-5,10,18H,6-8H2,1H3,(H,17,19)/t10-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-methoxypropyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
N-[(2S)-2-hydroxy-3-methoxypropyl]-2-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 291.27 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-3-methoxypropyl]-2-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 97237905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).