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

C11H12F4N2O — CID 115351328

IUPAC3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(methylamino)propanamide
SMILESCNC(CC(N)=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H12F4N2O/c1-17-9(5-10(16)18)6-2-7(11(13,14)15)4-8(12)3-6/h2-4,9,17H,5H2,1H3,(H2,16,18)
InChIKeyZQBZLWSYLCIRAR-UHFFFAOYSA-N
MW264.22 g/mol
LogP1.98
Rot. Bonds4

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

3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(methylamino)propanamide (PubChem CID 115351328) has the molecular formula C11H12F4N2O and a molecular weight of 264.22 g/mol. Its IUPAC name is 3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(methylamino)propanamide.

Molecular Properties

Compound Name3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(methylamino)propanamide
PubChem CID115351328
Molecular FormulaC11H12F4N2O
Molecular Weight264.22 g/mol
Exact Mass264.09
IUPAC Name3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(methylamino)propanamide
SMILESCNC(CC(N)=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H12F4N2O/c1-17-9(5-10(16)18)6-2-7(11(13,14)15)4-8(12)3-6/h2-4,9,17H,5H2,1H3,(H2,16,18)
InChIKeyZQBZLWSYLCIRAR-UHFFFAOYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(propylamino)propanamide
CID 115351332
methyl 3-(ethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propanoate
CID 115351334
3-[3,5-bis(trifluoromethyl)phenyl]butanamide
CID 173252522
(3R)-3-[3,5-bis(trifluoromethyl)phenyl]butanamide
CID 87395828
(3S)-3-amino-3-[3-fluoro-5-(trifluoromethyl)phenyl]propanoic acid
CID 79015931
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 118492024
methyl 3-(3,5-difluorophenyl)-3-(methylamino)propanoate
CID 106534445
4-amino-3-[3-fluoro-5-(trifluoromethyl)phenyl]pentanoic acid
CID 113292119
ethyl 3-(dimethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propanoate
CID 115351279
ethyl 2-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetate
CID 115350925
3-(3-fluoro-4-methylphenyl)-3-(methylamino)propanamide
CID 65236584
ethyl 2-(ethylamino)-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetate
CID 115350918

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(methylamino)propanamide?
The IUPAC name of 3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(methylamino)propanamide (CID 115351328) is 3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(methylamino)propanamide.
What is the SMILES notation for 3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(methylamino)propanamide?
The canonical SMILES for 3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(methylamino)propanamide is CNC(CC(N)=O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(methylamino)propanamide?
The InChIKey is ZQBZLWSYLCIRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O/c1-17-9(5-10(16)18)6-2-7(11(13,14)15)4-8(12)3-6/h2-4,9,17H,5H2,1H3,(H2,16,18).
What are the key properties of 3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(methylamino)propanamide?
3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(methylamino)propanamide has a molecular weight of 264.22 g/mol, XLogP of 1.98, 4 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-(methylamino)propanamide is sourced from PubChem (CID 115351328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).