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

C22H20ClF3N4O3 — CID 136964699

IUPACN-[[4-chloro-3-[6-oxo-4-[3-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1ccc(Cl)c(-c2nc(-c3cccc(OC(F)(F)F)c3)nc(=O)[nH]2)c1
InChIInChI=1S/C22H20ClF3N4O3/c1-21(2,3)19(31)27-11-12-7-8-16(23)15(9-12)18-28-17(29-20(32)30-18)13-5-4-6-14(10-13)33-22(24,25)26/h4-10H,11H2,1-3H3,(H,27,31)(H,28,29,30,32)
InChIKeyWAIVVIIAUJAHJM-UHFFFAOYSA-N
MW480.87 g/mol
LogP4.71
Rot. Bonds5

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

N-[[4-chloro-3-[6-oxo-4-[3-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide (PubChem CID 136964699) has the molecular formula C22H20ClF3N4O3 and a molecular weight of 480.87 g/mol. Its IUPAC name is N-[[4-chloro-3-[6-oxo-4-[3-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-chloro-3-[6-oxo-4-[3-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide
PubChem CID136964699
Molecular FormulaC22H20ClF3N4O3
Molecular Weight480.87 g/mol
Exact Mass480.12
IUPAC NameN-[[4-chloro-3-[6-oxo-4-[3-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1ccc(Cl)c(-c2nc(-c3cccc(OC(F)(F)F)c3)nc(=O)[nH]2)c1
InChIInChI=1S/C22H20ClF3N4O3/c1-21(2,3)19(31)27-11-12-7-8-16(23)15(9-12)18-28-17(29-20(32)30-18)13-5-4-6-14(10-13)33-22(24,25)26/h4-10H,11H2,1-3H3,(H,27,31)(H,28,29,30,32)
InChIKeyWAIVVIIAUJAHJM-UHFFFAOYSA-N
XLogP4.71
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.87
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-[6-oxo-4-[3-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[4-chloro-3-[6-oxo-4-[3-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide (CID 136964699) is N-[[4-chloro-3-[6-oxo-4-[3-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[4-chloro-3-[6-oxo-4-[3-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[4-chloro-3-[6-oxo-4-[3-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCc1ccc(Cl)c(-c2nc(-c3cccc(OC(F)(F)F)c3)nc(=O)[nH]2)c1.
What is the InChIKey of N-[[4-chloro-3-[6-oxo-4-[3-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide?
The InChIKey is WAIVVIIAUJAHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N4O3/c1-21(2,3)19(31)27-11-12-7-8-16(23)15(9-12)18-28-17(29-20(32)30-18)13-5-4-6-14(10-13)33-22(24,25)26/h4-10H,11H2,1-3H3,(H,27,31)(H,28,29,30,32).
What are the key properties of N-[[4-chloro-3-[6-oxo-4-[3-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide?
N-[[4-chloro-3-[6-oxo-4-[3-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide has a molecular weight of 480.87 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-[6-oxo-4-[3-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 136964699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).