N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4,4,4-trifluorobutanamide

C12H12F4N2O2 — CID 75508909

IUPACN-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4,4,4-trifluorobutanamide
SMILESNC(=O)C(NC(=O)CCC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C12H12F4N2O2/c13-8-3-1-7(2-4-8)10(11(17)20)18-9(19)5-6-12(14,15)16/h1-4,10H,5-6H2,(H2,17,20)(H,18,19)
InChIKeyZOYRUXKIGMQMIN-UHFFFAOYSA-N
MW292.23 g/mol
LogP1.81
Rot. Bonds5

About N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4,4,4-trifluorobutanamide

N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4,4,4-trifluorobutanamide (PubChem CID 75508909) has the molecular formula C12H12F4N2O2 and a molecular weight of 292.23 g/mol. Its IUPAC name is N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4,4,4-trifluorobutanamide
PubChem CID75508909
Molecular FormulaC12H12F4N2O2
Molecular Weight292.23 g/mol
Exact Mass292.08
IUPAC NameN-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4,4,4-trifluorobutanamide
SMILESNC(=O)C(NC(=O)CCC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C12H12F4N2O2/c13-8-3-1-7(2-4-8)10(11(17)20)18-9(19)5-6-12(14,15)16/h1-4,10H,5-6H2,(H2,17,20)(H,18,19)
InChIKeyZOYRUXKIGMQMIN-UHFFFAOYSA-N
XLogP1.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4,4,4-trifluorobutanamide (CID 75508909) is N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4,4,4-trifluorobutanamide is NC(=O)C(NC(=O)CCC(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4,4,4-trifluorobutanamide?
The InChIKey is ZOYRUXKIGMQMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4N2O2/c13-8-3-1-7(2-4-8)10(11(17)20)18-9(19)5-6-12(14,15)16/h1-4,10H,5-6H2,(H2,17,20)(H,18,19).
What are the key properties of N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4,4,4-trifluorobutanamide?
N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4,4,4-trifluorobutanamide has a molecular weight of 292.23 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 75508909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).