N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)acetamide

C23H21F3N2O — CID 178014246

IUPACN-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2cc(-c3cc(C)nc(C)c3)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H21F3N2O/c1-14-4-6-17(7-5-14)10-22(29)28-21-12-19(11-20(13-21)23(24,25)26)18-8-15(2)27-16(3)9-18/h4-9,11-13H,10H2,1-3H3,(H,28,29)
InChIKeyMRDUJWHVESVRLS-UHFFFAOYSA-N
MW398.43 g/mol
LogP5.87
Rot. Bonds4

About N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)acetamide

N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)acetamide (PubChem CID 178014246) has the molecular formula C23H21F3N2O and a molecular weight of 398.43 g/mol. Its IUPAC name is N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)acetamide
PubChem CID178014246
Molecular FormulaC23H21F3N2O
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC NameN-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2cc(-c3cc(C)nc(C)c3)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H21F3N2O/c1-14-4-6-17(7-5-14)10-22(29)28-21-12-19(11-20(13-21)23(24,25)26)18-8-15(2)27-16(3)9-18/h4-9,11-13H,10H2,1-3H3,(H,28,29)
InChIKeyMRDUJWHVESVRLS-UHFFFAOYSA-N
XLogP5.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.43
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetamide
CID 178014238
2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 9207196
N-(4,6-dimethyl-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 17148768
2-(4-methylphenyl)-N-(2-methyl-4-pyridinyl)acetamide
CID 110756851
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534982
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 155375566
N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 7926545
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
N-[2-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 120605180
N-(2-methoxypyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122301631

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)acetamide (CID 178014246) is N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2cc(-c3cc(C)nc(C)c3)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)acetamide?
The InChIKey is MRDUJWHVESVRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O/c1-14-4-6-17(7-5-14)10-22(29)28-21-12-19(11-20(13-21)23(24,25)26)18-8-15(2)27-16(3)9-18/h4-9,11-13H,10H2,1-3H3,(H,28,29).
What are the key properties of N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)acetamide?
N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)acetamide has a molecular weight of 398.43 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethyl-4-pyridinyl)-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 178014246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).