N-[[4-chloro-3-(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)phenyl]methyl]-N-ethyl-3,3,3-trifluoro-2,2-dimethylpropanamide

C24H24ClF3N4O2 — CID 118337849

IUPACN-[[4-chloro-3-(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)phenyl]methyl]-N-ethyl-3,3,3-trifluoro-2,2-dimethylpropanamide
SMILESCCN(Cc1ccc(Cl)c(-c2nc(OC)nc(-c3ccccc3)n2)c1)C(=O)C(C)(C)C(F)(F)F
InChIInChI=1S/C24H24ClF3N4O2/c1-5-32(21(33)23(2,3)24(26,27)28)14-15-11-12-18(25)17(13-15)20-29-19(30-22(31-20)34-4)16-9-7-6-8-10-16/h6-13H,5,14H2,1-4H3
InChIKeyBJKJBLKKTVQSTP-UHFFFAOYSA-N
MW492.93 g/mol
LogP5.80
Rot. Bonds7

About N-[[4-chloro-3-(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)phenyl]methyl]-N-ethyl-3,3,3-trifluoro-2,2-dimethylpropanamide

N-[[4-chloro-3-(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)phenyl]methyl]-N-ethyl-3,3,3-trifluoro-2,2-dimethylpropanamide (PubChem CID 118337849) has the molecular formula C24H24ClF3N4O2 and a molecular weight of 492.93 g/mol. Its IUPAC name is N-[[4-chloro-3-(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)phenyl]methyl]-N-ethyl-3,3,3-trifluoro-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-chloro-3-(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)phenyl]methyl]-N-ethyl-3,3,3-trifluoro-2,2-dimethylpropanamide
PubChem CID118337849
Molecular FormulaC24H24ClF3N4O2
Molecular Weight492.93 g/mol
Exact Mass492.15
IUPAC NameN-[[4-chloro-3-(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)phenyl]methyl]-N-ethyl-3,3,3-trifluoro-2,2-dimethylpropanamide
SMILESCCN(Cc1ccc(Cl)c(-c2nc(OC)nc(-c3ccccc3)n2)c1)C(=O)C(C)(C)C(F)(F)F
InChIInChI=1S/C24H24ClF3N4O2/c1-5-32(21(33)23(2,3)24(26,27)28)14-15-11-12-18(25)17(13-15)20-29-19(30-22(31-20)34-4)16-9-7-6-8-10-16/h6-13H,5,14H2,1-4H3
InChIKeyBJKJBLKKTVQSTP-UHFFFAOYSA-N
XLogP5.80
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.93
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)phenyl]methyl]-N-ethyl-3,3,3-trifluoro-2,2-dimethylpropanamide?
The IUPAC name of N-[[4-chloro-3-(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)phenyl]methyl]-N-ethyl-3,3,3-trifluoro-2,2-dimethylpropanamide (CID 118337849) is N-[[4-chloro-3-(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)phenyl]methyl]-N-ethyl-3,3,3-trifluoro-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[4-chloro-3-(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)phenyl]methyl]-N-ethyl-3,3,3-trifluoro-2,2-dimethylpropanamide?
The canonical SMILES for N-[[4-chloro-3-(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)phenyl]methyl]-N-ethyl-3,3,3-trifluoro-2,2-dimethylpropanamide is CCN(Cc1ccc(Cl)c(-c2nc(OC)nc(-c3ccccc3)n2)c1)C(=O)C(C)(C)C(F)(F)F.
What is the InChIKey of N-[[4-chloro-3-(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)phenyl]methyl]-N-ethyl-3,3,3-trifluoro-2,2-dimethylpropanamide?
The InChIKey is BJKJBLKKTVQSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N4O2/c1-5-32(21(33)23(2,3)24(26,27)28)14-15-11-12-18(25)17(13-15)20-29-19(30-22(31-20)34-4)16-9-7-6-8-10-16/h6-13H,5,14H2,1-4H3.
What are the key properties of N-[[4-chloro-3-(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)phenyl]methyl]-N-ethyl-3,3,3-trifluoro-2,2-dimethylpropanamide?
N-[[4-chloro-3-(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)phenyl]methyl]-N-ethyl-3,3,3-trifluoro-2,2-dimethylpropanamide has a molecular weight of 492.93 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)phenyl]methyl]-N-ethyl-3,3,3-trifluoro-2,2-dimethylpropanamide is sourced from PubChem (CID 118337849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).