4-tert-butyl-2-piperidin-1-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide

C23H23F7N2O — CID 135058197

IUPAC4-tert-butyl-2-piperidin-1-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c(N2CCCCC2)c1
InChIInChI=1S/C23H23F7N2O/c1-22(2,3)12-7-8-13(14(11-12)32-9-5-4-6-10-32)21(33)31-20-18(26)16(24)15(23(28,29)30)17(25)19(20)27/h7-8,11H,4-6,9-10H2,1-3H3,(H,31,33)
InChIKeyTUFOLAXDZBFMLX-UHFFFAOYSA-N
MW476.44 g/mol
LogP6.80
Rot. Bonds3

About 4-tert-butyl-2-piperidin-1-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide

4-tert-butyl-2-piperidin-1-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide (PubChem CID 135058197) has the molecular formula C23H23F7N2O and a molecular weight of 476.44 g/mol. Its IUPAC name is 4-tert-butyl-2-piperidin-1-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-2-piperidin-1-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
PubChem CID135058197
Molecular FormulaC23H23F7N2O
Molecular Weight476.44 g/mol
Exact Mass476.17
IUPAC Name4-tert-butyl-2-piperidin-1-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c(N2CCCCC2)c1
InChIInChI=1S/C23H23F7N2O/c1-22(2,3)12-7-8-13(14(11-12)32-9-5-4-6-10-32)21(33)31-20-18(26)16(24)15(23(28,29)30)17(25)19(20)27/h7-8,11H,4-6,9-10H2,1-3H3,(H,31,33)
InChIKeyTUFOLAXDZBFMLX-UHFFFAOYSA-N
XLogP6.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.44
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-propyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide
CID 154789452
1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine
CID 58412701
3-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 102110185
2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2065695
4-chloro-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
CID 86708437
2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2067749
1-(5-tert-butyl-2-methylsulfonylphenyl)piperidine
CID 166005479
2,4-dichloro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1397318
2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 4028135
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092377
2-oxo-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
CID 134318670
2-(azepan-1-yl)-4-fluorobenzoic acid
CID 79686942

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-piperidin-1-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-tert-butyl-2-piperidin-1-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide (CID 135058197) is 4-tert-butyl-2-piperidin-1-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-2-piperidin-1-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-2-piperidin-1-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c(N2CCCCC2)c1.
What is the InChIKey of 4-tert-butyl-2-piperidin-1-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is TUFOLAXDZBFMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F7N2O/c1-22(2,3)12-7-8-13(14(11-12)32-9-5-4-6-10-32)21(33)31-20-18(26)16(24)15(23(28,29)30)17(25)19(20)27/h7-8,11H,4-6,9-10H2,1-3H3,(H,31,33).
What are the key properties of 4-tert-butyl-2-piperidin-1-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide?
4-tert-butyl-2-piperidin-1-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 476.44 g/mol, XLogP of 6.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-piperidin-1-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 135058197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).