4-tert-butyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide

C19H21F3N2O — CID 118497799

IUPAC4-tert-butyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCc2cccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C19H21F3N2O/c1-18(2,3)14-9-7-13(8-10-14)17(25)23-12-11-15-5-4-6-16(24-15)19(20,21)22/h4-10H,11-12H2,1-3H3,(H,23,25)
InChIKeyXVWDQLJDVUMALN-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.37
Rot. Bonds4

About 4-tert-butyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide

4-tert-butyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide (PubChem CID 118497799) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide
PubChem CID118497799
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name4-tert-butyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCc2cccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C19H21F3N2O/c1-18(2,3)14-9-7-13(8-10-14)17(25)23-12-11-15-5-4-6-16(24-15)19(20,21)22/h4-10H,11-12H2,1-3H3,(H,23,25)
InChIKeyXVWDQLJDVUMALN-UHFFFAOYSA-N
XLogP4.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 68701165
4-acetyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 71993341
N-(2-quinolin-2-ylethyl)-3-(trifluoromethyl)benzamide
CID 172890631
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
4-tert-butyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934829
5-methyl-1-[2-[6-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122123950
2,2-dimethyl-3-[6-(trifluoromethyl)-2-pyridinyl]propanoic acid
CID 171538306
2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]propanamide
CID 123230614
4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 31528348
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-tert-butylbenzamide
CID 46823819
2-butyl-6-(trifluoromethyl)pyridine
CID 126570654
1-[2-[2-(trifluoromethyl)phenyl]ethyl]-3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]urea
CID 166236084

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide (CID 118497799) is 4-tert-butyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCCc2cccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide?
The InChIKey is XVWDQLJDVUMALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O/c1-18(2,3)14-9-7-13(8-10-14)17(25)23-12-11-15-5-4-6-16(24-15)19(20,21)22/h4-10H,11-12H2,1-3H3,(H,23,25).
What are the key properties of 4-tert-butyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide?
4-tert-butyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide has a molecular weight of 350.38 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide is sourced from PubChem (CID 118497799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).