N-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

C12H14F4N2O — CID 78914722

IUPACN-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(NC(=O)CNCC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C12H14F4N2O/c1-8(9-2-4-10(13)5-3-9)18-11(19)6-17-7-12(14,15)16/h2-5,8,17H,6-7H2,1H3,(H,18,19)
InChIKeyKYMMIRUMPFRSEW-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.15
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78914722) has the molecular formula C12H14F4N2O and a molecular weight of 278.25 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78914722
Molecular FormulaC12H14F4N2O
Molecular Weight278.25 g/mol
Exact Mass278.10
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(NC(=O)CNCC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C12H14F4N2O/c1-8(9-2-4-10(13)5-3-9)18-11(19)6-17-7-12(14,15)16/h2-5,8,17H,6-7H2,1H3,(H,18,19)
InChIKeyKYMMIRUMPFRSEW-UHFFFAOYSA-N
XLogP2.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 81364541
N-[1-(4-cyanophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958173
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 81376338
2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide
CID 47030874
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
2,2,2-trifluoroethyl N-[3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-oxopropyl]carbamate
CID 95278651
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81228466
N-[1-(2-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914874
5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid
CID 81351309
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81349027

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78914722) is N-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is CC(NC(=O)CNCC(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is KYMMIRUMPFRSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O/c1-8(9-2-4-10(13)5-3-9)18-11(19)6-17-7-12(14,15)16/h2-5,8,17H,6-7H2,1H3,(H,18,19).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 278.25 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78914722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).