N-[[4-chloro-3-[4-[4-(2-methylpropyl)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide

C26H28ClF3N4O2 — CID 136964718

IUPACN-[[4-chloro-3-[4-[4-(2-methylpropyl)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide
SMILESCC(C)Cc1ccc(-c2nc(-c3cc(CN(C)C(=O)C(C)(C)C(F)(F)F)ccc3Cl)[nH]c(=O)n2)cc1
InChIInChI=1S/C26H28ClF3N4O2/c1-15(2)12-16-6-9-18(10-7-16)21-31-22(33-24(36)32-21)19-13-17(8-11-20(19)27)14-34(5)23(35)25(3,4)26(28,29)30/h6-11,13,15H,12,14H2,1-5H3,(H,31,32,33,36)
InChIKeyLCJRNWPDZHGFGA-UHFFFAOYSA-N
MW520.98 g/mol
LogP5.90
Rot. Bonds7

About N-[[4-chloro-3-[4-[4-(2-methylpropyl)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide

N-[[4-chloro-3-[4-[4-(2-methylpropyl)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide (PubChem CID 136964718) has the molecular formula C26H28ClF3N4O2 and a molecular weight of 520.98 g/mol. Its IUPAC name is N-[[4-chloro-3-[4-[4-(2-methylpropyl)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[[4-chloro-3-[4-[4-(2-methylpropyl)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide
PubChem CID136964718
Molecular FormulaC26H28ClF3N4O2
Molecular Weight520.98 g/mol
Exact Mass520.19
IUPAC NameN-[[4-chloro-3-[4-[4-(2-methylpropyl)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide
SMILESCC(C)Cc1ccc(-c2nc(-c3cc(CN(C)C(=O)C(C)(C)C(F)(F)F)ccc3Cl)[nH]c(=O)n2)cc1
InChIInChI=1S/C26H28ClF3N4O2/c1-15(2)12-16-6-9-18(10-7-16)21-31-22(33-24(36)32-21)19-13-17(8-11-20(19)27)14-34(5)23(35)25(3,4)26(28,29)30/h6-11,13,15H,12,14H2,1-5H3,(H,31,32,33,36)
InChIKeyLCJRNWPDZHGFGA-UHFFFAOYSA-N
XLogP5.90
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.98
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-chloro-3-[4-[4-(2-methylpropyl)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide 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

N-[[4-chloro-3-[2-oxo-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide
CID 91754669
N-[[4-chloro-2-fluoro-3-[5-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-yl]phenyl]methyl]-2-methylpropanamide
CID 118038481
N-[[4-chloro-2-fluoro-3-[2-oxo-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide
CID 118038549
N-[[4-chloro-2-fluoro-3-[2-oxo-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide
CID 118038870
N-[[4-chloro-2-fluoro-3-[5-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide
CID 118038936
N-[[4-chloro-3-[2-oxo-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-yl]phenyl]methyl]-2-methylpropanamide
CID 118047832
N-[[3-[4-(4-tert-butylphenyl)-2-oxo-1H-pyrimidin-6-yl]-4-chloro-2-fluorophenyl]methyl]-2,2-dimethylpropanamide
CID 118047838
4-[2-(4-Chlorophenyl)-5-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880937
4-[4-(4-Chlorophenyl)-5-(3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880943
4-[2-(2-Chlorophenyl)-5-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880976
4-[2-Tert-butyl-4-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 122606266
N-[[4-chloro-2-fluoro-3-[2-oxo-6-[4-(trifluoromethyl)phenyl]-5,6-dihydro-1H-pyrimidin-4-yl]phenyl]methyl]-2,2-dimethylpropanamide
CID 123203021

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-[4-[4-(2-methylpropyl)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide?
The IUPAC name of N-[[4-chloro-3-[4-[4-(2-methylpropyl)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide (CID 136964718) is N-[[4-chloro-3-[4-[4-(2-methylpropyl)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[[4-chloro-3-[4-[4-(2-methylpropyl)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[[4-chloro-3-[4-[4-(2-methylpropyl)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide is CC(C)Cc1ccc(-c2nc(-c3cc(CN(C)C(=O)C(C)(C)C(F)(F)F)ccc3Cl)[nH]c(=O)n2)cc1.
What is the InChIKey of N-[[4-chloro-3-[4-[4-(2-methylpropyl)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide?
The InChIKey is LCJRNWPDZHGFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClF3N4O2/c1-15(2)12-16-6-9-18(10-7-16)21-31-22(33-24(36)32-21)19-13-17(8-11-20(19)27)14-34(5)23(35)25(3,4)26(28,29)30/h6-11,13,15H,12,14H2,1-5H3,(H,31,32,33,36).
What are the key properties of N-[[4-chloro-3-[4-[4-(2-methylpropyl)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide?
N-[[4-chloro-3-[4-[4-(2-methylpropyl)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide has a molecular weight of 520.98 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-[4-[4-(2-methylpropyl)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide is sourced from PubChem (CID 136964718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).