2-[2-(4-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide

C13H16F4N2O — CID 115571284

IUPAC2-[2-(4-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCCc1ccc(F)cc1)C(=O)NCC(F)(F)F
InChIInChI=1S/C13H16F4N2O/c1-9(12(20)19-8-13(15,16)17)18-7-6-10-2-4-11(14)5-3-10/h2-5,9,18H,6-8H2,1H3,(H,19,20)
InChIKeyLMZPJBSKVOMUKO-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.02
Rot. Bonds6

About 2-[2-(4-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[2-(4-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115571284) has the molecular formula C13H16F4N2O and a molecular weight of 292.28 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115571284
Molecular FormulaC13H16F4N2O
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name2-[2-(4-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCCc1ccc(F)cc1)C(=O)NCC(F)(F)F
InChIInChI=1S/C13H16F4N2O/c1-9(12(20)19-8-13(15,16)17)18-7-6-10-2-4-11(14)5-3-10/h2-5,9,18H,6-8H2,1H3,(H,19,20)
InChIKeyLMZPJBSKVOMUKO-UHFFFAOYSA-N
XLogP2.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571273
2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 43112605
1-[2-(4-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 115575958
2-(2-pyridin-2-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115571278
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571067
2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 18159154
N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide
CID 47403939
N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 78770059
1-(4-aminophenyl)-2-[2-(4-fluorophenyl)ethylamino]propan-1-one
CID 82258109
(2S)-N-ethyl-2-[2-(4-fluorophenyl)ethylcarbamoylamino]propanamide
CID 36505869
2-[2-(4-fluorophenyl)ethylcarbamoyl]-3-methylbutanoic acid
CID 115186267
2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 62305792

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 115571284) is 2-[2-(4-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NCCc1ccc(F)cc1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is LMZPJBSKVOMUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O/c1-9(12(20)19-8-13(15,16)17)18-7-6-10-2-4-11(14)5-3-10/h2-5,9,18H,6-8H2,1H3,(H,19,20).
What are the key properties of 2-[2-(4-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[2-(4-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 292.28 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115571284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).