N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-(2,4,5-trimethylphenoxy)benzamide;2,4,5-trimethylphenol

C31H31F3N2O4 — CID 158204256

IUPACN-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-(2,4,5-trimethylphenoxy)benzamide;2,4,5-trimethylphenol
SMILESCc1cc(C)c(O)cc1C.Cc1cc(C)c(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cc[nH]c(=O)c2)cc1C
InChIInChI=1S/C22H19F3N2O3.C9H12O/c1-12-8-14(3)19(9-13(12)2)30-18-5-4-15(22(23,24)25)10-17(18)21(29)27-16-6-7-26-20(28)11-16;1-6-4-8(3)9(10)5-7(6)2/h4-11H,1-3H3,(H2,26,27,28,29);4-5,10H,1-3H3
InChIKeyGBHMPIAKAPNOBH-UHFFFAOYSA-N
MW552.59 g/mol
LogP7.68
Rot. Bonds4

About N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-(2,4,5-trimethylphenoxy)benzamide;2,4,5-trimethylphenol

N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-(2,4,5-trimethylphenoxy)benzamide;2,4,5-trimethylphenol (PubChem CID 158204256) has the molecular formula C31H31F3N2O4 and a molecular weight of 552.59 g/mol. Its IUPAC name is N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-(2,4,5-trimethylphenoxy)benzamide;2,4,5-trimethylphenol.

Molecular Properties

Compound NameN-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-(2,4,5-trimethylphenoxy)benzamide;2,4,5-trimethylphenol
PubChem CID158204256
Molecular FormulaC31H31F3N2O4
Molecular Weight552.59 g/mol
Exact Mass552.22
IUPAC NameN-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-(2,4,5-trimethylphenoxy)benzamide;2,4,5-trimethylphenol
SMILESCc1cc(C)c(O)cc1C.Cc1cc(C)c(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cc[nH]c(=O)c2)cc1C
InChIInChI=1S/C22H19F3N2O3.C9H12O/c1-12-8-14(3)19(9-13(12)2)30-18-5-4-15(22(23,24)25)10-17(18)21(29)27-16-6-7-26-20(28)11-16;1-6-4-8(3)9(10)5-7(6)2/h4-11H,1-3H3,(H2,26,27,28,29);4-5,10H,1-3H3
InChIKeyGBHMPIAKAPNOBH-UHFFFAOYSA-N
XLogP7.68
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.59
LogP ≤ 57.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-(2,4,5-trimethylphenoxy)benzamide;2,4,5-trimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide
CID 78323102
4-chloro-2-fluorophenol;2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide
CID 160785317
N-(2-oxo-1H-pyridin-4-yl)-2-(4-propoxyphenoxy)-5-(trifluoromethyl)benzamide
CID 78323101
N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxybenzamide
CID 162620602
N-(2-oxo-1H-pyridin-4-yl)-2-(4,4,4-trifluorobutoxy)-5-(trifluoromethyl)benzamide
CID 90302339
2-fluoro-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide;hydrobromide
CID 118126608
2-[(2-methyl-3-pyridinyl)oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
CID 90034856
4-methylphenol;2-(4-methylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethoxy)benzamide
CID 157153109
2-[2-(3-amino-3-oxopropyl)-4-fluorophenoxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
CID 175359905
N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
CID 90034791
2-fluoro-5-[[2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 162720938
2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
CID 90034823

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-(2,4,5-trimethylphenoxy)benzamide;2,4,5-trimethylphenol?
The IUPAC name of N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-(2,4,5-trimethylphenoxy)benzamide;2,4,5-trimethylphenol (CID 158204256) is N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-(2,4,5-trimethylphenoxy)benzamide;2,4,5-trimethylphenol.
What is the SMILES notation for N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-(2,4,5-trimethylphenoxy)benzamide;2,4,5-trimethylphenol?
The canonical SMILES for N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-(2,4,5-trimethylphenoxy)benzamide;2,4,5-trimethylphenol is Cc1cc(C)c(O)cc1C.Cc1cc(C)c(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cc[nH]c(=O)c2)cc1C.
What is the InChIKey of N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-(2,4,5-trimethylphenoxy)benzamide;2,4,5-trimethylphenol?
The InChIKey is GBHMPIAKAPNOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O3.C9H12O/c1-12-8-14(3)19(9-13(12)2)30-18-5-4-15(22(23,24)25)10-17(18)21(29)27-16-6-7-26-20(28)11-16;1-6-4-8(3)9(10)5-7(6)2/h4-11H,1-3H3,(H2,26,27,28,29);4-5,10H,1-3H3.
What are the key properties of N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-(2,4,5-trimethylphenoxy)benzamide;2,4,5-trimethylphenol?
N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-(2,4,5-trimethylphenoxy)benzamide;2,4,5-trimethylphenol has a molecular weight of 552.59 g/mol, XLogP of 7.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-(2,4,5-trimethylphenoxy)benzamide;2,4,5-trimethylphenol is sourced from PubChem (CID 158204256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).