2-hydroxy-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide

C11H13F3N2O3 — CID 106170862

IUPAC2-hydroxy-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide
SMILESNC(=O)C(O)CNCc1ccccc1OC(F)(F)F
InChIInChI=1S/C11H13F3N2O3/c12-11(13,14)19-9-4-2-1-3-7(9)5-16-6-8(17)10(15)18/h1-4,8,16-17H,5-6H2,(H2,15,18)
InChIKeyGFXVEGMJMDXNNL-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.52
Rot. Bonds6

About 2-hydroxy-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide

2-hydroxy-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide (PubChem CID 106170862) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-hydroxy-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide
PubChem CID106170862
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name2-hydroxy-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide
SMILESNC(=O)C(O)CNCc1ccccc1OC(F)(F)F
InChIInChI=1S/C11H13F3N2O3/c12-11(13,14)19-9-4-2-1-3-7(9)5-16-6-8(17)10(15)18/h1-4,8,16-17H,5-6H2,(H2,15,18)
InChIKeyGFXVEGMJMDXNNL-UHFFFAOYSA-N
XLogP0.52
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol
CID 60703872
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83142342
N-[3-hydroxy-1-phenyl-4-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate
CID 154079185
2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592606
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol
CID 103924217
[[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]thiourea
CID 87565512
3-[(2-cyclopropylphenyl)methylamino]-2-hydroxypropanamide
CID 114153579
1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442
[1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol
CID 79479077
N-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 60702927

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide?
The IUPAC name of 2-hydroxy-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide (CID 106170862) is 2-hydroxy-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide?
The canonical SMILES for 2-hydroxy-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide is NC(=O)C(O)CNCc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-hydroxy-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide?
The InChIKey is GFXVEGMJMDXNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c12-11(13,14)19-9-4-2-1-3-7(9)5-16-6-8(17)10(15)18/h1-4,8,16-17H,5-6H2,(H2,15,18).
What are the key properties of 2-hydroxy-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide?
2-hydroxy-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide has a molecular weight of 278.23 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide is sourced from PubChem (CID 106170862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).