2-amino-N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide

C15H19F3N2O2 — CID 120786132

IUPAC2-amino-N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide
SMILESCc1c(NC(=O)C(N)C2CCOCC2)cccc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c1-9-11(15(16,17)18)3-2-4-12(9)20-14(21)13(19)10-5-7-22-8-6-10/h2-4,10,13H,5-8,19H2,1H3,(H,20,21)
InChIKeyRDCPJYRDQNWNGS-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.71
Rot. Bonds3

About 2-amino-N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide

2-amino-N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide (PubChem CID 120786132) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-amino-N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide
PubChem CID120786132
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name2-amino-N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide
SMILESCc1c(NC(=O)C(N)C2CCOCC2)cccc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c1-9-11(15(16,17)18)3-2-4-12(9)20-14(21)13(19)10-5-7-22-8-6-10/h2-4,10,13H,5-8,19H2,1H3,(H,20,21)
InChIKeyRDCPJYRDQNWNGS-UHFFFAOYSA-N
XLogP2.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-(oxan-4-yl)acetamide
CID 120791678
2-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120796053
2-amino-N-(2,3-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120785988
2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785843
2-amino-N-[2-methyl-3-(phenoxymethyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120795542
2-amino-N-(4-fluoro-2-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120783512
N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 66867834
2-amino-2-(oxan-4-yl)-N-[4-[2-(trifluoromethyl)phenoxy]phenyl]acetamide;hydrochloride
CID 120790257
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
2-amino-N-(2,5-dimethylphenyl)-2-(oxan-4-yl)acetamide
CID 120782547
2-amino-2-(oxan-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 120783058
2-amino-N-methyl-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 120785560

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide (CID 120786132) is 2-amino-N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide is Cc1c(NC(=O)C(N)C2CCOCC2)cccc1C(F)(F)F.
What is the InChIKey of 2-amino-N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide?
The InChIKey is RDCPJYRDQNWNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-9-11(15(16,17)18)3-2-4-12(9)20-14(21)13(19)10-5-7-22-8-6-10/h2-4,10,13H,5-8,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide has a molecular weight of 316.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120786132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).