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

C12H14F4N2O — CID 79810988

IUPAC2-amino-N-ethyl-3,3,3-trifluoro-N-(2-fluorophenyl)-2-methylpropanamide
SMILESCCN(C(=O)C(C)(N)C(F)(F)F)c1ccccc1F
InChIInChI=1S/C12H14F4N2O/c1-3-18(9-7-5-4-6-8(9)13)10(19)11(2,17)12(14,15)16/h4-7H,3,17H2,1-2H3
InChIKeyWNVJPFCFEBRPCR-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.46
Rot. Bonds3

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

2-amino-N-ethyl-3,3,3-trifluoro-N-(2-fluorophenyl)-2-methylpropanamide (PubChem CID 79810988) has the molecular formula C12H14F4N2O and a molecular weight of 278.25 g/mol. Its IUPAC name is 2-amino-N-ethyl-3,3,3-trifluoro-N-(2-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-3,3,3-trifluoro-N-(2-fluorophenyl)-2-methylpropanamide
PubChem CID79810988
Molecular FormulaC12H14F4N2O
Molecular Weight278.25 g/mol
Exact Mass278.10
IUPAC Name2-amino-N-ethyl-3,3,3-trifluoro-N-(2-fluorophenyl)-2-methylpropanamide
SMILESCCN(C(=O)C(C)(N)C(F)(F)F)c1ccccc1F
InChIInChI=1S/C12H14F4N2O/c1-3-18(9-7-5-4-6-8(9)13)10(19)11(2,17)12(14,15)16/h4-7H,3,17H2,1-2H3
InChIKeyWNVJPFCFEBRPCR-UHFFFAOYSA-N
XLogP2.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-3,3,3-trifluoro-N-(2-fluorophenyl)-2-methylpropanamide?
The IUPAC name of 2-amino-N-ethyl-3,3,3-trifluoro-N-(2-fluorophenyl)-2-methylpropanamide (CID 79810988) is 2-amino-N-ethyl-3,3,3-trifluoro-N-(2-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-ethyl-3,3,3-trifluoro-N-(2-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for 2-amino-N-ethyl-3,3,3-trifluoro-N-(2-fluorophenyl)-2-methylpropanamide is CCN(C(=O)C(C)(N)C(F)(F)F)c1ccccc1F.
What is the InChIKey of 2-amino-N-ethyl-3,3,3-trifluoro-N-(2-fluorophenyl)-2-methylpropanamide?
The InChIKey is WNVJPFCFEBRPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O/c1-3-18(9-7-5-4-6-8(9)13)10(19)11(2,17)12(14,15)16/h4-7H,3,17H2,1-2H3.
What are the key properties of 2-amino-N-ethyl-3,3,3-trifluoro-N-(2-fluorophenyl)-2-methylpropanamide?
2-amino-N-ethyl-3,3,3-trifluoro-N-(2-fluorophenyl)-2-methylpropanamide has a molecular weight of 278.25 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-3,3,3-trifluoro-N-(2-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 79810988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).