2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

C12H15F3N2O — CID 61265568

IUPAC2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(C)(N)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O/c1-11(2,16)10(18)17-7-8-4-3-5-9(6-8)12(13,14)15/h3-6H,7,16H2,1-2H3,(H,17,18)
InChIKeyWLQHLOWOBDCOSP-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.06
Rot. Bonds3

About 2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 61265568) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID61265568
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(C)(N)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O/c1-11(2,16)10(18)17-7-8-4-3-5-9(6-8)12(13,14)15/h3-6H,7,16H2,1-2H3,(H,17,18)
InChIKeyWLQHLOWOBDCOSP-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[[(2-amino-2-methylpropanoyl)amino]methyl]benzamide;hydrochloride
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2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]propanamide
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1-(4-methylphenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
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4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
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2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
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2-amino-3,3,3-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (CID 61265568) is 2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is CC(C)(N)C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is WLQHLOWOBDCOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-11(2,16)10(18)17-7-8-4-3-5-9(6-8)12(13,14)15/h3-6H,7,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 260.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 61265568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).