2-amino-3,3,3-trifluoro-N-(3-hydroxy-4-methoxyphenyl)-2-methylpropanamide

C11H13F3N2O3 — CID 79797113

IUPAC2-amino-3,3,3-trifluoro-N-(3-hydroxy-4-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(N)C(F)(F)F)cc1O
InChIInChI=1S/C11H13F3N2O3/c1-10(15,11(12,13)14)9(18)16-6-3-4-8(19-2)7(17)5-6/h3-5,17H,15H2,1-2H3,(H,16,18)
InChIKeyISPJYJMXSBWTEG-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.62
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-N-(3-hydroxy-4-methoxyphenyl)-2-methylpropanamide

2-amino-3,3,3-trifluoro-N-(3-hydroxy-4-methoxyphenyl)-2-methylpropanamide (PubChem CID 79797113) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-(3-hydroxy-4-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-(3-hydroxy-4-methoxyphenyl)-2-methylpropanamide
PubChem CID79797113
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name2-amino-3,3,3-trifluoro-N-(3-hydroxy-4-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(N)C(F)(F)F)cc1O
InChIInChI=1S/C11H13F3N2O3/c1-10(15,11(12,13)14)9(18)16-6-3-4-8(19-2)7(17)5-6/h3-5,17H,15H2,1-2H3,(H,16,18)
InChIKeyISPJYJMXSBWTEG-UHFFFAOYSA-N
XLogP1.62
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-bromo-4-methoxyphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79811706
2-amino-N-(3-hydroxy-4-methoxyphenyl)-2-phenylpropanamide
CID 62488059
N-(3-hydroxy-4-methoxyphenyl)-2-methyl-2-(methylamino)propanamide
CID 62846141
2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide
CID 79788488
2-amino-N-(4-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79791630
N-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide
CID 79790594
4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-methylbenzoic acid
CID 79812206
4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzamide
CID 79796854
2-amino-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
CID 114839711
3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzoic acid
CID 79805170
2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 79796818
2-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-2-methylpropanamide
CID 119286134

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-(3-hydroxy-4-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-(3-hydroxy-4-methoxyphenyl)-2-methylpropanamide (CID 79797113) is 2-amino-3,3,3-trifluoro-N-(3-hydroxy-4-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-(3-hydroxy-4-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-(3-hydroxy-4-methoxyphenyl)-2-methylpropanamide is COc1ccc(NC(=O)C(C)(N)C(F)(F)F)cc1O.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-(3-hydroxy-4-methoxyphenyl)-2-methylpropanamide?
The InChIKey is ISPJYJMXSBWTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-10(15,11(12,13)14)9(18)16-6-3-4-8(19-2)7(17)5-6/h3-5,17H,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-3,3,3-trifluoro-N-(3-hydroxy-4-methoxyphenyl)-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-(3-hydroxy-4-methoxyphenyl)-2-methylpropanamide has a molecular weight of 278.23 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N-(3-hydroxy-4-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 79797113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).