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

C11H13F3N2O2 — CID 79788488

IUPAC2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(N)C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O2/c1-10(15,11(12,13)14)9(17)16-7-3-5-8(18-2)6-4-7/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyRUUQQZLGBXQEDL-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.91
Rot. Bonds3

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

2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide (PubChem CID 79788488) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide
PubChem CID79788488
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(N)C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O2/c1-10(15,11(12,13)14)9(17)16-7-3-5-8(18-2)6-4-7/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyRUUQQZLGBXQEDL-UHFFFAOYSA-N
XLogP1.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3,3,3-trifluoro-2-methyl-N-(4-propan-2-yloxyphenyl)propanamide
CID 79797421
2-amino-N-(4-methoxyphenyl)-2-methylpropanamide;hydrochloride
CID 56832266
2-amino-3,3,3-trifluoro-N-(3-hydroxy-4-methoxyphenyl)-2-methylpropanamide
CID 79797113
4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzamide
CID 79796854
2-amino-N-(3-bromo-4-methoxyphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79811706
1,1,1,4,4,4-hexafluorobutane-2,3-dione;N-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 158094253
3,3,3-trifluoro-2,2-bis(4-methoxyanilino)-N-(4-methoxyphenyl)propanamide
CID 2380112
2-amino-3,3,3-trifluoro-2-methyl-N-(4-methylsulfanylphenyl)propanamide
CID 79791847
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(4-methoxyphenyl)nonanamide
CID 5048807
2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-4-methoxybenzoic acid
CID 115411559
2,2-difluoro-3-hydroxy-N-(4-methoxyphenyl)propanamide
CID 139665561
2-amino-2-cyclopropyl-N-(4-methoxyphenyl)propanamide
CID 54925277

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide (CID 79788488) is 2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide is COc1ccc(NC(=O)C(C)(N)C(F)(F)F)cc1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide?
The InChIKey is RUUQQZLGBXQEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-10(15,11(12,13)14)9(17)16-7-3-5-8(18-2)6-4-7/h3-6H,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide has a molecular weight of 262.23 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 79788488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).