N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide

C15H18ClF3N2O — CID 75392846

IUPACN-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide
SMILESCN1CCC(NC(=O)CCC(F)(F)F)C1c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClF3N2O/c1-21-9-7-12(20-13(22)6-8-15(17,18)19)14(21)10-2-4-11(16)5-3-10/h2-5,12,14H,6-9H2,1H3,(H,20,22)
InChIKeyRAUVEWYUOSMNAN-UHFFFAOYSA-N
MW334.77 g/mol
LogP3.54
Rot. Bonds4

About N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide

N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide (PubChem CID 75392846) has the molecular formula C15H18ClF3N2O and a molecular weight of 334.77 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide
PubChem CID75392846
Molecular FormulaC15H18ClF3N2O
Molecular Weight334.77 g/mol
Exact Mass334.11
IUPAC NameN-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide
SMILESCN1CCC(NC(=O)CCC(F)(F)F)C1c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClF3N2O/c1-21-9-7-12(20-13(22)6-8-15(17,18)19)14(21)10-2-4-11(16)5-3-10/h2-5,12,14H,6-9H2,1H3,(H,20,22)
InChIKeyRAUVEWYUOSMNAN-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.77
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide (CID 75392846) is N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide is CN1CCC(NC(=O)CCC(F)(F)F)C1c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide?
The InChIKey is RAUVEWYUOSMNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2O/c1-21-9-7-12(20-13(22)6-8-15(17,18)19)14(21)10-2-4-11(16)5-3-10/h2-5,12,14H,6-9H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide?
N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide has a molecular weight of 334.77 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 75392846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).