2,4-difluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide

C23H25F5N2O — CID 23723781

IUPAC2,4-difluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide
SMILESCN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C23H25F5N2O/c1-29(22(31)20-6-5-19(24)14-21(20)25)15-17-8-11-30(12-9-17)10-7-16-3-2-4-18(13-16)23(26,27)28/h2-6,13-14,17H,7-12,15H2,1H3
InChIKeyRZFFAPONGOPKQU-UHFFFAOYSA-N
MW440.46 g/mol
LogP5.01
Rot. Bonds6

About 2,4-difluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide

2,4-difluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide (PubChem CID 23723781) has the molecular formula C23H25F5N2O and a molecular weight of 440.46 g/mol. Its IUPAC name is 2,4-difluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide
PubChem CID23723781
Molecular FormulaC23H25F5N2O
Molecular Weight440.46 g/mol
Exact Mass440.19
IUPAC Name2,4-difluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide
SMILESCN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C23H25F5N2O/c1-29(22(31)20-6-5-19(24)14-21(20)25)15-17-8-11-30(12-9-17)10-7-16-3-2-4-18(13-16)23(26,27)28/h2-6,13-14,17H,7-12,15H2,1H3
InChIKeyRZFFAPONGOPKQU-UHFFFAOYSA-N
XLogP5.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.46
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide?
The IUPAC name of 2,4-difluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide (CID 23723781) is 2,4-difluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide is CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide?
The InChIKey is RZFFAPONGOPKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F5N2O/c1-29(22(31)20-6-5-19(24)14-21(20)25)15-17-8-11-30(12-9-17)10-7-16-3-2-4-18(13-16)23(26,27)28/h2-6,13-14,17H,7-12,15H2,1H3.
What are the key properties of 2,4-difluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide?
2,4-difluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide has a molecular weight of 440.46 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 23723781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).