N-[(4-tert-butylphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide

C19H21F3N2O — CID 68701165

IUPACN-[(4-tert-butylphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCC(C)(C)c1ccc(CNC(=O)Cc2cccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C19H21F3N2O/c1-18(2,3)14-9-7-13(8-10-14)12-23-17(25)11-15-5-4-6-16(24-15)19(20,21)22/h4-10H,11-12H2,1-3H3,(H,23,25)
InChIKeyGRPNPGKVZJUCJF-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.26
Rot. Bonds4

About N-[(4-tert-butylphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide

N-[(4-tert-butylphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 68701165) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID68701165
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCC(C)(C)c1ccc(CNC(=O)Cc2cccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C19H21F3N2O/c1-18(2,3)14-9-7-13(8-10-14)12-23-17(25)11-15-5-4-6-16(24-15)19(20,21)22/h4-10H,11-12H2,1-3H3,(H,23,25)
InChIKeyGRPNPGKVZJUCJF-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide
CID 118497799
2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]propanamide
CID 123230614
N-[(4-tert-butylphenyl)methyl]-2-naphthalen-2-ylacetamide
CID 68703244
2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 53401513
N-[(4-tert-butylphenyl)methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 90758793
N-[(4-tert-butylphenyl)methyl]-2-hydroxyacetamide
CID 69343221
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 25402863
3-[(4-tert-butylphenyl)methylamino]-3-oxopropanoic acid
CID 115163373
2-(1,3-thiazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 155969654
N-[1-(1-hydroxyethyl)cyclopropyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 138024052
N-[[4-(2-methylpentan-2-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 69341997

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide (CID 68701165) is N-[(4-tert-butylphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide is CC(C)(C)c1ccc(CNC(=O)Cc2cccc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is GRPNPGKVZJUCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O/c1-18(2,3)14-9-7-13(8-10-14)12-23-17(25)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 N-[(4-tert-butylphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
N-[(4-tert-butylphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 350.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 68701165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).