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

C22H20ClF3N4O2 — CID 136964728

IUPACN-[[4-chloro-3-(6-oxo-4-phenyl-1H-1,3,5-triazin-2-yl)phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide
SMILESCN(Cc1ccc(Cl)c(-c2nc(-c3ccccc3)nc(=O)[nH]2)c1)C(=O)C(C)(C)C(F)(F)F
InChIInChI=1S/C22H20ClF3N4O2/c1-21(2,22(24,25)26)19(31)30(3)12-13-9-10-16(23)15(11-13)18-27-17(28-20(32)29-18)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,27,28,29,32)
InChIKeyNLBJGNJDYIHABD-UHFFFAOYSA-N
MW464.88 g/mol
LogP4.70
Rot. Bonds5

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

N-[[4-chloro-3-(6-oxo-4-phenyl-1H-1,3,5-triazin-2-yl)phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide (PubChem CID 136964728) has the molecular formula C22H20ClF3N4O2 and a molecular weight of 464.88 g/mol. Its IUPAC name is N-[[4-chloro-3-(6-oxo-4-phenyl-1H-1,3,5-triazin-2-yl)phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[[4-chloro-3-(6-oxo-4-phenyl-1H-1,3,5-triazin-2-yl)phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide
PubChem CID136964728
Molecular FormulaC22H20ClF3N4O2
Molecular Weight464.88 g/mol
Exact Mass464.12
IUPAC NameN-[[4-chloro-3-(6-oxo-4-phenyl-1H-1,3,5-triazin-2-yl)phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide
SMILESCN(Cc1ccc(Cl)c(-c2nc(-c3ccccc3)nc(=O)[nH]2)c1)C(=O)C(C)(C)C(F)(F)F
InChIInChI=1S/C22H20ClF3N4O2/c1-21(2,22(24,25)26)19(31)30(3)12-13-9-10-16(23)15(11-13)18-27-17(28-20(32)29-18)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,27,28,29,32)
InChIKeyNLBJGNJDYIHABD-UHFFFAOYSA-N
XLogP4.70
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.88
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-chloro-3-(6-oxo-4-phenyl-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

2-[3-(4-chlorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 58011656
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-(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-tert-butyl-5-oxo-1,4-dihydroimidazol-2-yl)-4-chlorophenyl]methyl]-2,2,2-trifluoroacetamide
CID 118423547
4-[2-Tert-butyl-4-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]-1,3-diazinan-2-one
CID 118880897
4-[2-(2-Chlorophenyl)-4-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880916
4-[4-(4-Chlorophenyl)-5-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880932
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-(6-oxo-4-phenyl-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-(6-oxo-4-phenyl-1H-1,3,5-triazin-2-yl)phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide (CID 136964728) is N-[[4-chloro-3-(6-oxo-4-phenyl-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-(6-oxo-4-phenyl-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-(6-oxo-4-phenyl-1H-1,3,5-triazin-2-yl)phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide is CN(Cc1ccc(Cl)c(-c2nc(-c3ccccc3)nc(=O)[nH]2)c1)C(=O)C(C)(C)C(F)(F)F.
What is the InChIKey of N-[[4-chloro-3-(6-oxo-4-phenyl-1H-1,3,5-triazin-2-yl)phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide?
The InChIKey is NLBJGNJDYIHABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N4O2/c1-21(2,22(24,25)26)19(31)30(3)12-13-9-10-16(23)15(11-13)18-27-17(28-20(32)29-18)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,27,28,29,32).
What are the key properties of N-[[4-chloro-3-(6-oxo-4-phenyl-1H-1,3,5-triazin-2-yl)phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide?
N-[[4-chloro-3-(6-oxo-4-phenyl-1H-1,3,5-triazin-2-yl)phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide has a molecular weight of 464.88 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-(6-oxo-4-phenyl-1H-1,3,5-triazin-2-yl)phenyl]methyl]-3,3,3-trifluoro-N,2,2-trimethylpropanamide is sourced from PubChem (CID 136964728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).