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

C23H21F3N2O — CID 11654160

IUPACN-(4-tert-butylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)cc2)cc1
InChIInChI=1S/C23H21F3N2O/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/h4-14H,1-3H3,(H,28,29)
InChIKeyDDZOIYQDBHLKQX-UHFFFAOYSA-N
MW398.43 g/mol
LogP6.32
Rot. Bonds3

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

N-(4-tert-butylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 11654160) has the molecular formula C23H21F3N2O and a molecular weight of 398.43 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID11654160
Molecular FormulaC23H21F3N2O
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC NameN-(4-tert-butylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)cc2)cc1
InChIInChI=1S/C23H21F3N2O/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/h4-14H,1-3H3,(H,28,29)
InChIKeyDDZOIYQDBHLKQX-UHFFFAOYSA-N
XLogP6.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.43
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (CID 11654160) is N-(4-tert-butylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-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-butylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is DDZOIYQDBHLKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O/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/h4-14H,1-3H3,(H,28,29).
What are the key properties of N-(4-tert-butylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
N-(4-tert-butylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 398.43 g/mol, XLogP of 6.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 11654160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).