3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide

C11H12F4N2O2 — CID 106171272

IUPAC3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H12F4N2O2/c12-8-2-1-6(3-7(8)11(13,14)15)4-17-5-9(18)10(16)19/h1-3,9,17-18H,4-5H2,(H2,16,19)
InChIKeyUVMUROJKZIKSAS-UHFFFAOYSA-N
MW280.22 g/mol
LogP0.78
Rot. Bonds5

About 3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide

3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide (PubChem CID 106171272) has the molecular formula C11H12F4N2O2 and a molecular weight of 280.22 g/mol. Its IUPAC name is 3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
PubChem CID106171272
Molecular FormulaC11H12F4N2O2
Molecular Weight280.22 g/mol
Exact Mass280.08
IUPAC Name3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H12F4N2O2/c12-8-2-1-6(3-7(8)11(13,14)15)4-17-5-9(18)10(16)19/h1-3,9,17-18H,4-5H2,(H2,16,19)
InChIKeyUVMUROJKZIKSAS-UHFFFAOYSA-N
XLogP0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-bromo-4-fluorophenyl)methylamino]-2-hydroxypropanamide
CID 106171977
1,1,1-trifluoro-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 103851384
3-ethyl-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]pentan-2-ol
CID 103851684
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
CID 106171481
(2R,3S)-3-amino-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-4-phenylbutan-2-ol
CID 69361428
2-hydroxy-3-[(4-methylsulfanylphenyl)methylamino]propanamide
CID 106170579
2-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
CID 104513169
3-[(4-chloro-2-fluorophenyl)methylamino]-2-hydroxypropanamide
CID 106171926
2-hydroxy-3-[(3-hydroxyphenyl)methylamino]propanamide
CID 106170564
3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxypropanamide
CID 106170380
2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107851137
3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide
CID 114153512

Frequently Asked Questions

What is the IUPAC name of 3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide (CID 106171272) is 3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide is NC(=O)C(O)CNCc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide?
The InChIKey is UVMUROJKZIKSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O2/c12-8-2-1-6(3-7(8)11(13,14)15)4-17-5-9(18)10(16)19/h1-3,9,17-18H,4-5H2,(H2,16,19).
What are the key properties of 3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide?
3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide has a molecular weight of 280.22 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide is sourced from PubChem (CID 106171272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).