3-hydroxy-N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]propanamide

C12H14F3NO2 — CID 177016070

IUPAC3-hydroxy-N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCN(C)C(=O)CC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c1-16(2)11(18)7-10(17)8-3-5-9(6-4-8)12(13,14)15/h3-6,10,17H,7H2,1-2H3
InChIKeyIJACSBTYOHTJTQ-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.22
Rot. Bonds3

About 3-hydroxy-N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]propanamide

3-hydroxy-N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 177016070) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 3-hydroxy-N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-hydroxy-N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID177016070
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name3-hydroxy-N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCN(C)C(=O)CC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c1-16(2)11(18)7-10(17)8-3-5-9(6-4-8)12(13,14)15/h3-6,10,17H,7H2,1-2H3
InChIKeyIJACSBTYOHTJTQ-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-hydroxy-N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]propanamide (CID 177016070) is 3-hydroxy-N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-hydroxy-N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-hydroxy-N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]propanamide is CN(C)C(=O)CC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-hydroxy-N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is IJACSBTYOHTJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-16(2)11(18)7-10(17)8-3-5-9(6-4-8)12(13,14)15/h3-6,10,17H,7H2,1-2H3.
What are the key properties of 3-hydroxy-N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]propanamide?
3-hydroxy-N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 261.24 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 177016070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).