3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide

C11H12F4N2O2 — CID 106171481

IUPAC3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H12F4N2O2/c12-8-2-6(1-7(3-8)11(13,14)15)4-17-5-9(18)10(16)19/h1-3,9,17-18H,4-5H2,(H2,16,19)
InChIKeyDNOWXUJNVPIKPO-UHFFFAOYSA-N
MW280.22 g/mol
LogP0.78
Rot. Bonds5

About 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide

3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide (PubChem CID 106171481) has the molecular formula C11H12F4N2O2 and a molecular weight of 280.22 g/mol. Its IUPAC name is 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
PubChem CID106171481
Molecular FormulaC11H12F4N2O2
Molecular Weight280.22 g/mol
Exact Mass280.08
IUPAC Name3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H12F4N2O2/c12-8-2-6(1-7(3-8)11(13,14)15)4-17-5-9(18)10(16)19/h1-3,9,17-18H,4-5H2,(H2,16,19)
InChIKeyDNOWXUJNVPIKPO-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-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115350323
3-[[3-fluoro-5-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-2-hydroxypropanamide
CID 106177135
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-methoxypropan-2-ol
CID 115282873
3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
CID 106171272
methyl 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanoate
CID 115350555
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-propan-2-ylacetamide
CID 115282732
2-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]ethoxy]acetamide
CID 106235900
2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 58597427
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N,N-dimethylacetamide
CID 115282718
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-thiophen-3-ylethanol
CID 103823528
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717933
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide
CID 115282805

Frequently Asked Questions

What is the IUPAC name of 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide (CID 106171481) is 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide is NC(=O)C(O)CNCc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide?
The InChIKey is DNOWXUJNVPIKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O2/c12-8-2-6(1-7(3-8)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-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide?
3-[[3-fluoro-5-(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-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide is sourced from PubChem (CID 106171481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).