N-(4-tert-butylcyclohexyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

C23H27F3N2O — CID 11589503

IUPACN-(4-tert-butylcyclohexyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCC(C)(C)C1CCC(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H27F3N2O/c1-22(2,3)17-10-12-18(13-11-17)28-21(29)16-8-6-15(7-9-16)20-19(23(24,25)26)5-4-14-27-20/h4-9,14,17-18H,10-13H2,1-3H3,(H,28,29)
InChIKeyKVZLCCCNWYUFJB-UHFFFAOYSA-N
MW404.48 g/mol
LogP6.10
Rot. Bonds3

About N-(4-tert-butylcyclohexyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

N-(4-tert-butylcyclohexyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 11589503) has the molecular formula C23H27F3N2O and a molecular weight of 404.48 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID11589503
Molecular FormulaC23H27F3N2O
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC NameN-(4-tert-butylcyclohexyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCC(C)(C)C1CCC(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H27F3N2O/c1-22(2,3)17-10-12-18(13-11-17)28-21(29)16-8-6-15(7-9-16)20-19(23(24,25)26)5-4-14-27-20/h4-9,14,17-18H,10-13H2,1-3H3,(H,28,29)
InChIKeyKVZLCCCNWYUFJB-UHFFFAOYSA-N
XLogP6.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.48
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-tert-butylcyclohexyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-(4-tert-butylcyclohexyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (CID 11589503) is N-(4-tert-butylcyclohexyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is CC(C)(C)C1CCC(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)cc2)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is KVZLCCCNWYUFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O/c1-22(2,3)17-10-12-18(13-11-17)28-21(29)16-8-6-15(7-9-16)20-19(23(24,25)26)5-4-14-27-20/h4-9,14,17-18H,10-13H2,1-3H3,(H,28,29).
What are the key properties of N-(4-tert-butylcyclohexyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
N-(4-tert-butylcyclohexyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 404.48 g/mol, XLogP of 6.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 11589503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).