2-amino-3,3,3-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide

C12H15F3N2O2 — CID 107231164

IUPAC2-amino-3,3,3-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide
SMILESCC(N)(C(=O)NCc1ccc(CO)cc1)C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-11(16,12(13,14)15)10(19)17-6-8-2-4-9(7-18)5-3-8/h2-5,18H,6-7,16H2,1H3,(H,17,19)
InChIKeyHFFZSUATKFIVQZ-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.07
Rot. Bonds4

About 2-amino-3,3,3-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide

2-amino-3,3,3-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide (PubChem CID 107231164) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide
PubChem CID107231164
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-amino-3,3,3-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide
SMILESCC(N)(C(=O)NCc1ccc(CO)cc1)C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-11(16,12(13,14)15)10(19)17-6-8-2-4-9(7-18)5-3-8/h2-5,18H,6-7,16H2,1H3,(H,17,19)
InChIKeyHFFZSUATKFIVQZ-UHFFFAOYSA-N
XLogP1.07
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]propanamide
CID 22769472
N-(4-Hydroxymethylbenzyl)trifluoroacetamide
CID 15852209
2,2,2-trifluoro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide
CID 22769513
N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-N'-(1-phenylethyl)ethanediamide
CID 56765501
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)oxalamide
CID 56765504
N-[hydroxy(phenyl)methyl]acetamide
CID 18363668
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)pivalamide
CID 56765422
N1-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-N2-methyloxalamide
CID 56765496
N1-cyclopentyl-N2-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)oxalamide
CID 56765498
N1-(4-fluorobenzyl)-N2-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)oxalamide
CID 56765502
N-[[4-(ethoxymethyl)phenyl]methyl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide
CID 56795451
2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N,N,2-trimethylpropanamide
CID 72013818

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide (CID 107231164) is 2-amino-3,3,3-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide is CC(N)(C(=O)NCc1ccc(CO)cc1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide?
The InChIKey is HFFZSUATKFIVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-11(16,12(13,14)15)10(19)17-6-8-2-4-9(7-18)5-3-8/h2-5,18H,6-7,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-3,3,3-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide has a molecular weight of 276.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 107231164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).