N-(2-hydroxyethyl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide

C13H16F3NO2 — CID 110487743

IUPACN-(2-hydroxyethyl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(C(=O)NCCO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-12(2,11(19)17-7-8-18)9-3-5-10(6-4-9)13(14,15)16/h3-6,18H,7-8H2,1-2H3,(H,17,19)
InChIKeyDSJIXIYRBFJRAN-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.09
Rot. Bonds4

About N-(2-hydroxyethyl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide

N-(2-hydroxyethyl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 110487743) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID110487743
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-(2-hydroxyethyl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(C(=O)NCCO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-12(2,11(19)17-7-8-18)9-3-5-10(6-4-9)13(14,15)16/h3-6,18H,7-8H2,1-2H3,(H,17,19)
InChIKeyDSJIXIYRBFJRAN-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-hydroxyethylamino)-2-oxoethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide
CID 71848431
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CID 68786932
1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
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2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide
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3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]propanoic acid
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2-[3,5-bis(trifluoromethyl)phenyl]-N-butyl-2-methylpropanamide
CID 102482272
2-(4-fluorophenyl)-2-methyl-N-(2-phenylethyl)propanamide
CID 113197365
N-(2-acetamidoethyl)-2-methyl-2-phenylpropanamide
CID 110678562
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 108537709
2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide
CID 51711451
N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
N-(2-acetamidoethyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110437825

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide (CID 110487743) is N-(2-hydroxyethyl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide is CC(C)(C(=O)NCCO)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is DSJIXIYRBFJRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-12(2,11(19)17-7-8-18)9-3-5-10(6-4-9)13(14,15)16/h3-6,18H,7-8H2,1-2H3,(H,17,19).
What are the key properties of N-(2-hydroxyethyl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide?
N-(2-hydroxyethyl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 275.27 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 110487743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).