N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide

C18H25F3N2O — CID 91774516

IUPACN-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)CN1CCC(CNC(=O)Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C18H25F3N2O/c1-13(2)11-23-8-7-14(12-23)10-22-17(24)9-15-5-3-4-6-16(15)18(19,20)21/h3-6,13-14H,7-12H2,1-2H3,(H,22,24)
InChIKeyMFTCNOYOWBNQKK-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.34
Rot. Bonds6

About N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide

N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 91774516) has the molecular formula C18H25F3N2O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID91774516
Molecular FormulaC18H25F3N2O
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC NameN-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)CN1CCC(CNC(=O)Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C18H25F3N2O/c1-13(2)11-23-8-7-14(12-23)10-22-17(24)9-15-5-3-4-6-16(15)18(19,20)21/h3-6,13-14H,7-12H2,1-2H3,(H,22,24)
InChIKeyMFTCNOYOWBNQKK-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(2,3,4-trifluorophenyl)acetamide
CID 95225668
N-[[4-(hydroxymethyl)cyclohexyl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 91772069
2,6-dihydroxy-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]benzamide
CID 95199115
(2S)-2-amino-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
CID 119885169
1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 124612859
N-(3-aminobutyl)-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119496810
N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 95193246
2-(2-fluorophenyl)-N-[[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 94777767
N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 95214370
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 11793930
7-amino-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]heptanamide;dihydrochloride
CID 119885095

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide (CID 91774516) is N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide is CC(C)CN1CCC(CNC(=O)Cc2ccccc2C(F)(F)F)C1.
What is the InChIKey of N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MFTCNOYOWBNQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O/c1-13(2)11-23-8-7-14(12-23)10-22-17(24)9-15-5-3-4-6-16(15)18(19,20)21/h3-6,13-14H,7-12H2,1-2H3,(H,22,24).
What are the key properties of N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 91774516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).