2-amino-N-(2-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide

C14H19F3N2O — CID 79797089

IUPAC2-amino-N-(2-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(C)(C)c1ccccc1NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-12(2,3)9-7-5-6-8-10(9)19-11(20)13(4,18)14(15,16)17/h5-8H,18H2,1-4H3,(H,19,20)
InChIKeyXYAZDPSAHTZENO-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.20
Rot. Bonds2

About 2-amino-N-(2-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(2-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79797089) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-amino-N-(2-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79797089
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-amino-N-(2-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(C)(C)c1ccccc1NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-12(2,3)9-7-5-6-8-10(9)19-11(20)13(4,18)14(15,16)17/h5-8H,18H2,1-4H3,(H,19,20)
InChIKeyXYAZDPSAHTZENO-UHFFFAOYSA-N
XLogP3.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3,3,3-trifluoro-2-methyl-N-[2-(methylsulfamoyl)phenyl]propanamide
CID 79789955
2-amino-3,3,3-trifluoro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
CID 79805032
2-amino-3,3,3-trifluoro-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide
CID 79811044
2-amino-3,3,3-trifluoro-N-[2-(methoxymethyl)phenyl]-2-methylpropanamide
CID 79797184
3-(2-tert-butylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821778
2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride
CID 119399942
2-amino-N-(4-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79791630
2-amino-3,3,3-trifluoro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide
CID 79797297
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 79789723
1-amino-N-(2-tert-butylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119399892
2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79790386
2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylquinolin-4-yl)propanamide
CID 79789951

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(2-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide (CID 79797089) is 2-amino-N-(2-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(2-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(2-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide is CC(C)(C)c1ccccc1NC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-N-(2-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is XYAZDPSAHTZENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-12(2,3)9-7-5-6-8-10(9)19-11(20)13(4,18)14(15,16)17/h5-8H,18H2,1-4H3,(H,19,20).
What are the key properties of 2-amino-N-(2-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(2-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 288.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79797089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).