3-[4-amino-2-(trifluoromethyl)anilino]-2-hydroxypropanamide

C10H12F3N3O2 — CID 114152829

IUPAC3-[4-amino-2-(trifluoromethyl)anilino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)6-3-5(14)1-2-7(6)16-4-8(17)9(15)18/h1-3,8,16-17H,4,14H2,(H2,15,18)
InChIKeyMEBVEFQLVLHRTG-UHFFFAOYSA-N
MW263.22 g/mol
LogP0.55
Rot. Bonds4

About 3-[4-amino-2-(trifluoromethyl)anilino]-2-hydroxypropanamide

3-[4-amino-2-(trifluoromethyl)anilino]-2-hydroxypropanamide (PubChem CID 114152829) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 3-[4-amino-2-(trifluoromethyl)anilino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[4-amino-2-(trifluoromethyl)anilino]-2-hydroxypropanamide
PubChem CID114152829
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name3-[4-amino-2-(trifluoromethyl)anilino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)6-3-5(14)1-2-7(6)16-4-8(17)9(15)18/h1-3,8,16-17H,4,14H2,(H2,15,18)
InChIKeyMEBVEFQLVLHRTG-UHFFFAOYSA-N
XLogP0.55
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[4-amino-2-(trifluoromethyl)anilino]propan-2-ol
CID 92979789
3-(4-amino-2-chloroanilino)-2-hydroxypropanamide
CID 106166462
1-[4-amino-2-(trifluoromethyl)anilino]-3-ethylpentan-2-ol
CID 106284327
3-[5-bromo-2-(trifluoromethyl)anilino]-2-hydroxypropanamide
CID 106171079
methyl 2-[4-amino-2-(trifluoromethyl)anilino]acetate
CID 54935472
N-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide
CID 54935805
6-[4-amino-2-(trifluoromethyl)anilino]hexan-1-ol
CID 107843932
3-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropanamide
CID 60790963
2-[2-[4-amino-2-(trifluoromethyl)anilino]ethoxy]ethanol
CID 14793683
4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
CID 106166574
2-hydroxy-3-[2-(trifluoromethylsulfonyl)anilino]propanamide
CID 107257686
4-N-[4-amino-2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 150605694

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-2-(trifluoromethyl)anilino]-2-hydroxypropanamide?
The IUPAC name of 3-[4-amino-2-(trifluoromethyl)anilino]-2-hydroxypropanamide (CID 114152829) is 3-[4-amino-2-(trifluoromethyl)anilino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[4-amino-2-(trifluoromethyl)anilino]-2-hydroxypropanamide?
The canonical SMILES for 3-[4-amino-2-(trifluoromethyl)anilino]-2-hydroxypropanamide is NC(=O)C(O)CNc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of 3-[4-amino-2-(trifluoromethyl)anilino]-2-hydroxypropanamide?
The InChIKey is MEBVEFQLVLHRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)6-3-5(14)1-2-7(6)16-4-8(17)9(15)18/h1-3,8,16-17H,4,14H2,(H2,15,18).
What are the key properties of 3-[4-amino-2-(trifluoromethyl)anilino]-2-hydroxypropanamide?
3-[4-amino-2-(trifluoromethyl)anilino]-2-hydroxypropanamide has a molecular weight of 263.22 g/mol, XLogP of 0.55, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-2-(trifluoromethyl)anilino]-2-hydroxypropanamide is sourced from PubChem (CID 114152829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).