N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide

C13H15F4NO — CID 78858762

IUPACN-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCN(CC(F)(F)F)C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C13H15F4NO/c1-2-18(9-13(15,16)17)12(19)8-5-10-3-6-11(14)7-4-10/h3-4,6-7H,2,5,8-9H2,1H3
InChIKeyFOYALQWFEBSRAD-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.17
Rot. Bonds5

About N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide

N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78858762) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78858762
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC NameN-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCN(CC(F)(F)F)C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C13H15F4NO/c1-2-18(9-13(15,16)17)12(19)8-5-10-3-6-11(14)7-4-10/h3-4,6-7H,2,5,8-9H2,1H3
InChIKeyFOYALQWFEBSRAD-UHFFFAOYSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 78858628
N,N-dibutyl-3-(4-fluorophenyl)propanamide
CID 46906422
N-[(2R)-2-cyanopropyl]-N-ethyl-3-(4-fluorophenyl)propanamide
CID 94822045
3-(4-fluorophenyl)-N,N-bis(2-hydroxyethyl)propanamide
CID 60682225
N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78858653
3-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79377688
4-(4-fluorophenyl)-N,N-dipropylbutanamide
CID 110297678
N-(2-chloroethyl)-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 107492222
(E)-N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 78858681
N-(2-aminoethyl)-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107493544
N-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78858682
N,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 28570858

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 78858762) is N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide is CCN(CC(F)(F)F)C(=O)CCc1ccc(F)cc1.
What is the InChIKey of N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is FOYALQWFEBSRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c1-2-18(9-13(15,16)17)12(19)8-5-10-3-6-11(14)7-4-10/h3-4,6-7H,2,5,8-9H2,1H3.
What are the key properties of N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide?
N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 277.26 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78858762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).