2-amino-N-(3-ethylphenyl)-3,3,3-trifluoro-2-methylpropanamide

C12H15F3N2O — CID 79796687

IUPAC2-amino-N-(3-ethylphenyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCCc1cccc(NC(=O)C(C)(N)C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O/c1-3-8-5-4-6-9(7-8)17-10(18)11(2,16)12(13,14)15/h4-7H,3,16H2,1-2H3,(H,17,18)
InChIKeyRKSCLUSUJQADBH-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.47
Rot. Bonds3

About 2-amino-N-(3-ethylphenyl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(3-ethylphenyl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79796687) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-amino-N-(3-ethylphenyl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3-ethylphenyl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79796687
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name2-amino-N-(3-ethylphenyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCCc1cccc(NC(=O)C(C)(N)C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O/c1-3-8-5-4-6-9(7-8)17-10(18)11(2,16)12(13,14)15/h4-7H,3,16H2,1-2H3,(H,17,18)
InChIKeyRKSCLUSUJQADBH-UHFFFAOYSA-N
XLogP2.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzoic acid
CID 79805170
2-amino-3,3,3-trifluoro-2-methyl-N-[3-(2-methylpropoxy)phenyl]propanamide
CID 79792084
2-amino-N-(3-ethylphenyl)-2-methylpropanamide;1-chloro-3-fluoro-5-methylbenzene
CID 174358715
2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 79792418
2-bromo-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 82110089
4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzamide
CID 79796854
N-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 23579193
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide
CID 28942511
N-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide
CID 79790594
2-amino-3,3,3-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide
CID 107218398
2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide
CID 79796724

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethylphenyl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(3-ethylphenyl)-3,3,3-trifluoro-2-methylpropanamide (CID 79796687) is 2-amino-N-(3-ethylphenyl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(3-ethylphenyl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(3-ethylphenyl)-3,3,3-trifluoro-2-methylpropanamide is CCc1cccc(NC(=O)C(C)(N)C(F)(F)F)c1.
What is the InChIKey of 2-amino-N-(3-ethylphenyl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is RKSCLUSUJQADBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-3-8-5-4-6-9(7-8)17-10(18)11(2,16)12(13,14)15/h4-7H,3,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-(3-ethylphenyl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(3-ethylphenyl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 260.26 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethylphenyl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79796687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).