2-amino-N-(4-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide

C14H19F3N2O — CID 79791630

IUPAC2-amino-N-(4-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(C)(C)c1ccc(NC(=O)C(C)(N)C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-12(2,3)9-5-7-10(8-6-9)19-11(20)13(4,18)14(15,16)17/h5-8H,18H2,1-4H3,(H,19,20)
InChIKeyXMERBPDHEKETLZ-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.20
Rot. Bonds2

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

2-amino-N-(4-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79791630) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-amino-N-(4-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(4-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79791630
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-amino-N-(4-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(C)(C)c1ccc(NC(=O)C(C)(N)C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-12(2,3)9-5-7-10(8-6-9)19-11(20)13(4,18)14(15,16)17/h5-8H,18H2,1-4H3,(H,19,20)
InChIKeyXMERBPDHEKETLZ-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

4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzamide
CID 79796854
2-amino-3,3,3-trifluoro-2-methyl-N-(4-methylsulfanylphenyl)propanamide
CID 79791847
2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide
CID 79788488
2-amino-3,3,3-trifluoro-2-methyl-N-(4-propan-2-yloxyphenyl)propanamide
CID 79797421
N-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide
CID 79790594
2-amino-3,3,3-trifluoro-2-methyl-N-(3,4,5-trifluorophenyl)propanamide
CID 79811217
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]-2-methylbenzoic acid
CID 79812206
2-amino-3,3,3-trifluoro-2-methyl-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 79793593
2-amino-N-(2-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79797089
2-amino-N-(3-bromo-4-methoxyphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79811706
3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzoic acid
CID 79805170

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(4-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide (CID 79791630) is 2-amino-N-(4-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(4-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(4-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide is CC(C)(C)c1ccc(NC(=O)C(C)(N)C(F)(F)F)cc1.
What is the InChIKey of 2-amino-N-(4-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is XMERBPDHEKETLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-12(2,3)9-5-7-10(8-6-9)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-(4-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(4-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-(4-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79791630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).