N-[(1-methylpyrrolidin-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide

C18H23F3N2O — CID 171674237

IUPACN-[(1-methylpyrrolidin-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
SMILESCN1CCC(CNC(=O)C2(c3ccccc3C(F)(F)F)CCC2)C1
InChIInChI=1S/C18H23F3N2O/c1-23-10-7-13(12-23)11-22-16(24)17(8-4-9-17)14-5-2-3-6-15(14)18(19,20)21/h2-3,5-6,13H,4,7-12H2,1H3,(H,22,24)
InChIKeyOVNRZVAZMHSPHR-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.19
Rot. Bonds4

About N-[(1-methylpyrrolidin-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide

N-[(1-methylpyrrolidin-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide (PubChem CID 171674237) has the molecular formula C18H23F3N2O and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
PubChem CID171674237
Molecular FormulaC18H23F3N2O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
SMILESCN1CCC(CNC(=O)C2(c3ccccc3C(F)(F)F)CCC2)C1
InChIInChI=1S/C18H23F3N2O/c1-23-10-7-13(12-23)11-22-16(24)17(8-4-9-17)14-5-2-3-6-15(14)18(19,20)21/h2-3,5-6,13H,4,7-12H2,1H3,(H,22,24)
InChIKeyOVNRZVAZMHSPHR-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide (CID 171674237) is N-[(1-methylpyrrolidin-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide is CN1CCC(CNC(=O)C2(c3ccccc3C(F)(F)F)CCC2)C1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
The InChIKey is OVNRZVAZMHSPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O/c1-23-10-7-13(12-23)11-22-16(24)17(8-4-9-17)14-5-2-3-6-15(14)18(19,20)21/h2-3,5-6,13H,4,7-12H2,1H3,(H,22,24).
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
N-[(1-methylpyrrolidin-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 171674237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).