2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-propan-2-ylacetamide

C13H16F4N2O — CID 115282732

IUPAC2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H16F4N2O/c1-8(2)19-12(20)7-18-6-9-3-10(13(15,16)17)5-11(14)4-9/h3-5,8,18H,6-7H2,1-2H3,(H,19,20)
InChIKeyCBZFMVPEMNLUIM-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.46
Rot. Bonds5

About 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-propan-2-ylacetamide

2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-propan-2-ylacetamide (PubChem CID 115282732) has the molecular formula C13H16F4N2O and a molecular weight of 292.28 g/mol. Its IUPAC name is 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-propan-2-ylacetamide
PubChem CID115282732
Molecular FormulaC13H16F4N2O
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H16F4N2O/c1-8(2)19-12(20)7-18-6-9-3-10(13(15,16)17)5-11(14)4-9/h3-5,8,18H,6-7H2,1-2H3,(H,19,20)
InChIKeyCBZFMVPEMNLUIM-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N,N-dimethylacetamide
CID 115282718
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717933
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide
CID 115282805
methyl 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanoate
CID 115350555
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
CID 106171481
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115350323
2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylacetamide
CID 60789054
2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 58597427
N-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 60761684
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83306725
N-(3-methylbutan-2-yl)-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide
CID 60702100
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-methoxypropan-2-ol
CID 115282873

Frequently Asked Questions

What is the IUPAC name of 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-propan-2-ylacetamide (CID 115282732) is 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNCc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-propan-2-ylacetamide?
The InChIKey is CBZFMVPEMNLUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O/c1-8(2)19-12(20)7-18-6-9-3-10(13(15,16)17)5-11(14)4-9/h3-5,8,18H,6-7H2,1-2H3,(H,19,20).
What are the key properties of 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-propan-2-ylacetamide?
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-propan-2-ylacetamide has a molecular weight of 292.28 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 115282732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).