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

C23H27F3N2O — CID 59672796

IUPACN-(4-tert-butylcyclohexyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCC(C)(C)C1CCC(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccn3)cc2)CC1
InChIInChI=1S/C23H27F3N2O/c1-22(2,3)17-8-10-19(11-9-17)28-21(29)16-6-4-15(5-7-16)20-14-18(12-13-27-20)23(24,25)26/h4-7,12-14,17,19H,8-11H2,1-3H3,(H,28,29)
InChIKeyLNSBHSMJYRLBII-UHFFFAOYSA-N
MW404.48 g/mol
LogP6.10
Rot. Bonds3

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

N-(4-tert-butylcyclohexyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 59672796) has the molecular formula C23H27F3N2O and a molecular weight of 404.48 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID59672796
Molecular FormulaC23H27F3N2O
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC NameN-(4-tert-butylcyclohexyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCC(C)(C)C1CCC(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccn3)cc2)CC1
InChIInChI=1S/C23H27F3N2O/c1-22(2,3)17-8-10-19(11-9-17)28-21(29)16-6-4-15(5-7-16)20-14-18(12-13-27-20)23(24,25)26/h4-7,12-14,17,19H,8-11H2,1-3H3,(H,28,29)
InChIKeyLNSBHSMJYRLBII-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

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Related Compounds

N-cyclopentyl-4-[4-(1,1-difluoroethyl)-2-pyridinyl]benzamide
CID 143032281
N-cyclohexyl-4-(4-methyl-2-pyridinyl)benzamide
CID 59672894
N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673779
N-benzhydryl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673707
N-(2,6-dimethylpyrimidin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673003
N-(2-oxo-1H-pyridin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 143032463
4-(4-ethyl-2-pyridinyl)-N-(oxan-4-yl)benzamide
CID 167003948
N-cyclopropyl-3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide
CID 71940029
2-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]prop-2-enamide
CID 175876313
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673106
1-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043396
N-cyclopropyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]acetamide
CID 66329445

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-(4-tert-butylcyclohexyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 59672796) is N-(4-tert-butylcyclohexyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide is CC(C)(C)C1CCC(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccn3)cc2)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is LNSBHSMJYRLBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O/c1-22(2,3)17-8-10-19(11-9-17)28-21(29)16-6-4-15(5-7-16)20-14-18(12-13-27-20)23(24,25)26/h4-7,12-14,17,19H,8-11H2,1-3H3,(H,28,29).
What are the key properties of N-(4-tert-butylcyclohexyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
N-(4-tert-butylcyclohexyl)-4-[4-(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-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 59672796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).