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

C11H12F4N2O — CID 115350323

IUPAC3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide
SMILESNC(=O)CCNCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H12F4N2O/c12-9-4-7(6-17-2-1-10(16)18)3-8(5-9)11(13,14)15/h3-5,17H,1-2,6H2,(H2,16,18)
InChIKeyRQIJNCYJWRLHBV-UHFFFAOYSA-N
MW264.22 g/mol
LogP1.81
Rot. Bonds5

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

3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide (PubChem CID 115350323) has the molecular formula C11H12F4N2O and a molecular weight of 264.22 g/mol. Its IUPAC name is 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide.

Molecular Properties

Compound Name3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide
PubChem CID115350323
Molecular FormulaC11H12F4N2O
Molecular Weight264.22 g/mol
Exact Mass264.09
IUPAC Name3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide
SMILESNC(=O)CCNCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H12F4N2O/c12-9-4-7(6-17-2-1-10(16)18)3-8(5-9)11(13,14)15/h3-5,17H,1-2,6H2,(H2,16,18)
InChIKeyRQIJNCYJWRLHBV-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide
CID 115282805
2-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]ethoxy]acetamide
CID 106235900
3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 43090002
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
CID 106171481
3-[[3,5-bis(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 18426652
3-[(3-fluoro-5-nitrophenyl)methylamino]propanamide
CID 112646669
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83306725
2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 58597427
3-[(5-fluoro-3-pyridinyl)methylamino]propanamide
CID 104953901
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N,N-dimethylacetamide
CID 115282718
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717933
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine
CID 115350279

Frequently Asked Questions

What is the IUPAC name of 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide?
The IUPAC name of 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide (CID 115350323) is 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide.
What is the SMILES notation for 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide?
The canonical SMILES for 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide is NC(=O)CCNCc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide?
The InChIKey is RQIJNCYJWRLHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O/c12-9-4-7(6-17-2-1-10(16)18)3-8(5-9)11(13,14)15/h3-5,17H,1-2,6H2,(H2,16,18).
What are the key properties of 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide?
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide has a molecular weight of 264.22 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 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide is sourced from PubChem (CID 115350323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).