3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide

C12H14F4N2O — CID 115282805

IUPAC3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide
SMILESCNC(=O)CCNCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14F4N2O/c1-17-11(19)2-3-18-7-8-4-9(12(14,15)16)6-10(13)5-8/h4-6,18H,2-3,7H2,1H3,(H,17,19)
InChIKeyLNQDELYZUTXRNV-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.07
Rot. Bonds5

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

3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide (PubChem CID 115282805) has the molecular formula C12H14F4N2O and a molecular weight of 278.25 g/mol. Its IUPAC name is 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide
PubChem CID115282805
Molecular FormulaC12H14F4N2O
Molecular Weight278.25 g/mol
Exact Mass278.10
IUPAC Name3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide
SMILESCNC(=O)CCNCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14F4N2O/c1-17-11(19)2-3-18-7-8-4-9(12(14,15)16)6-10(13)5-8/h4-6,18H,2-3,7H2,1H3,(H,17,19)
InChIKeyLNQDELYZUTXRNV-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
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]propanamide
CID 115350323
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-propan-2-ylacetamide
CID 115282732
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83306725
3-[[3,5-bis(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 18426652
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
2-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]ethoxy]acetamide
CID 106235900
2-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propoxy]ethanol
CID 103992458
2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 58597427
2-[3,5-bis(trifluoromethyl)phenyl]-N-methylacetamide
CID 22370523
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
CID 106171481

Frequently Asked Questions

What is the IUPAC name of 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide (CID 115282805) is 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide is CNC(=O)CCNCc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide?
The InChIKey is LNQDELYZUTXRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O/c1-17-11(19)2-3-18-7-8-4-9(12(14,15)16)6-10(13)5-8/h4-6,18H,2-3,7H2,1H3,(H,17,19).
What are the key properties of 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide?
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide has a molecular weight of 278.25 g/mol, XLogP of 2.07, 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]-N-methylpropanamide is sourced from PubChem (CID 115282805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).