2-amino-3,3,3-trifluoro-N-[2-(2-fluorophenyl)ethyl]-2-methylpropanamide

C12H14F4N2O — CID 79797317

IUPAC2-amino-3,3,3-trifluoro-N-[2-(2-fluorophenyl)ethyl]-2-methylpropanamide
SMILESCC(N)(C(=O)NCCc1ccccc1F)C(F)(F)F
InChIInChI=1S/C12H14F4N2O/c1-11(17,12(14,15)16)10(19)18-7-6-8-4-2-3-5-9(8)13/h2-5H,6-7,17H2,1H3,(H,18,19)
InChIKeyDDQMVGGLBYSCRN-UHFFFAOYSA-N
MW278.25 g/mol
LogP1.76
Rot. Bonds4

About 2-amino-3,3,3-trifluoro-N-[2-(2-fluorophenyl)ethyl]-2-methylpropanamide

2-amino-3,3,3-trifluoro-N-[2-(2-fluorophenyl)ethyl]-2-methylpropanamide (PubChem CID 79797317) has the molecular formula C12H14F4N2O and a molecular weight of 278.25 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-[2-(2-fluorophenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-[2-(2-fluorophenyl)ethyl]-2-methylpropanamide
PubChem CID79797317
Molecular FormulaC12H14F4N2O
Molecular Weight278.25 g/mol
Exact Mass278.10
IUPAC Name2-amino-3,3,3-trifluoro-N-[2-(2-fluorophenyl)ethyl]-2-methylpropanamide
SMILESCC(N)(C(=O)NCCc1ccccc1F)C(F)(F)F
InChIInChI=1S/C12H14F4N2O/c1-11(17,12(14,15)16)10(19)18-7-6-8-4-2-3-5-9(8)13/h2-5H,6-7,17H2,1H3,(H,18,19)
InChIKeyDDQMVGGLBYSCRN-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(2-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119688573
N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-N'-propan-2-ylpropanediamide
CID 108957212
2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 79792358
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
1-amino-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 65463974
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide
CID 62877979
N-(4-chloro-2-methylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964098
1-[(E)-3,3-dimethylbut-1-enyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 108911582
N-[2-(2-fluorophenyl)ethyl]-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963012
N-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964083
ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate
CID 43385174

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-[2-(2-fluorophenyl)ethyl]-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-[2-(2-fluorophenyl)ethyl]-2-methylpropanamide (CID 79797317) is 2-amino-3,3,3-trifluoro-N-[2-(2-fluorophenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-[2-(2-fluorophenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-[2-(2-fluorophenyl)ethyl]-2-methylpropanamide is CC(N)(C(=O)NCCc1ccccc1F)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-[2-(2-fluorophenyl)ethyl]-2-methylpropanamide?
The InChIKey is DDQMVGGLBYSCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O/c1-11(17,12(14,15)16)10(19)18-7-6-8-4-2-3-5-9(8)13/h2-5H,6-7,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-3,3,3-trifluoro-N-[2-(2-fluorophenyl)ethyl]-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-[2-(2-fluorophenyl)ethyl]-2-methylpropanamide has a molecular weight of 278.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N-[2-(2-fluorophenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 79797317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).