3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(propylamino)propanamide

C13H16F4N2O — CID 115351332

IUPAC3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(propylamino)propanamide
SMILESCCCNC(CC(N)=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H16F4N2O/c1-2-3-19-11(7-12(18)20)8-4-9(13(15,16)17)6-10(14)5-8/h4-6,11,19H,2-3,7H2,1H3,(H2,18,20)
InChIKeyLKLWPVBNCCDYSJ-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.76
Rot. Bonds6

About 3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(propylamino)propanamide

3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(propylamino)propanamide (PubChem CID 115351332) has the molecular formula C13H16F4N2O and a molecular weight of 292.28 g/mol. Its IUPAC name is 3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(propylamino)propanamide.

Molecular Properties

Compound Name3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(propylamino)propanamide
PubChem CID115351332
Molecular FormulaC13H16F4N2O
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(propylamino)propanamide
SMILESCCCNC(CC(N)=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H16F4N2O/c1-2-3-19-11(7-12(18)20)8-4-9(13(15,16)17)6-10(14)5-8/h4-6,11,19H,2-3,7H2,1H3,(H2,18,20)
InChIKeyLKLWPVBNCCDYSJ-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 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 ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(methylamino)propanamide
CID 115351328
2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)ethanol
CID 115351216
3-(4-fluorophenyl)-3-(propylamino)propanamide
CID 65235429
methyl 3-(ethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propanoate
CID 115351334
3-(4-tert-butylphenyl)-3-(propylamino)propanamide
CID 65236000
2-chloro-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-propylacetamide
CID 115350528
ethyl 2-(ethylamino)-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetate
CID 115350918
3-phenyl-3-(propylamino)propanamide
CID 65235689
3-(3,4-dimethylphenyl)-3-(propylamino)propanamide
CID 65235384
ethyl 2-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetate
CID 115350925
3-(ethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol
CID 113292116
ethyl 3-(dimethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propanoate
CID 115351279

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(propylamino)propanamide?
The IUPAC name of 3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(propylamino)propanamide (CID 115351332) is 3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(propylamino)propanamide.
What is the SMILES notation for 3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(propylamino)propanamide?
The canonical SMILES for 3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(propylamino)propanamide is CCCNC(CC(N)=O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(propylamino)propanamide?
The InChIKey is LKLWPVBNCCDYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O/c1-2-3-19-11(7-12(18)20)8-4-9(13(15,16)17)6-10(14)5-8/h4-6,11,19H,2-3,7H2,1H3,(H2,18,20).
What are the key properties of 3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(propylamino)propanamide?
3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(propylamino)propanamide has a molecular weight of 292.28 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(propylamino)propanamide is sourced from PubChem (CID 115351332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).