2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

C13H14F4N2O — CID 171327625

IUPAC2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCC(F)C1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F4N2O/c14-9-5-6-19(7-9)8-12(20)18-11-4-2-1-3-10(11)13(15,16)17/h1-4,9H,5-8H2,(H,18,20)
InChIKeyQKOJJICDZUJIJC-UHFFFAOYSA-N
MW290.26 g/mol
LogP2.69
Rot. Bonds3

About 2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 171327625) has the molecular formula C13H14F4N2O and a molecular weight of 290.26 g/mol. Its IUPAC name is 2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID171327625
Molecular FormulaC13H14F4N2O
Molecular Weight290.26 g/mol
Exact Mass290.10
IUPAC Name2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCC(F)C1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F4N2O/c14-9-5-6-19(7-9)8-12(20)18-11-4-2-1-3-10(11)13(15,16)17/h1-4,9H,5-8H2,(H,18,20)
InChIKeyQKOJJICDZUJIJC-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 171668861
N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide
CID 171327633
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2989364
2-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 136538286
N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738569
2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]-N-propylacetamide
CID 30963694
2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 126795931
N-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
CID 9348957
2-[4-[2-(2,5-difluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 39777880
2-[4-(2-adamantyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22193948
2-(2-phenylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18137719

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 171327625) is 2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCC(F)C1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QKOJJICDZUJIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2O/c14-9-5-6-19(7-9)8-12(20)18-11-4-2-1-3-10(11)13(15,16)17/h1-4,9H,5-8H2,(H,18,20).
What are the key properties of 2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 290.26 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 171327625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).