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

C24H24ClF3N4O2 — CID 118380410

IUPACN-[[4-chloro-3-[4-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
SMILESCOc1nc(-c2ccc(C)c(C)c2)nc(-c2cc(CNC(=O)C(C)(C)C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C24H24ClF3N4O2/c1-13-6-8-16(10-14(13)2)19-30-20(32-22(31-19)34-5)17-11-15(7-9-18(17)25)12-29-21(33)23(3,4)24(26,27)28/h6-11H,12H2,1-5H3,(H,29,33)
InChIKeyOKYNMGDSDLWIOE-UHFFFAOYSA-N
MW492.93 g/mol
LogP5.69
Rot. Bonds6

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

N-[[4-chloro-3-[4-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide (PubChem CID 118380410) has the molecular formula C24H24ClF3N4O2 and a molecular weight of 492.93 g/mol. Its IUPAC name is N-[[4-chloro-3-[4-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-chloro-3-[4-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
PubChem CID118380410
Molecular FormulaC24H24ClF3N4O2
Molecular Weight492.93 g/mol
Exact Mass492.15
IUPAC NameN-[[4-chloro-3-[4-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
SMILESCOc1nc(-c2ccc(C)c(C)c2)nc(-c2cc(CNC(=O)C(C)(C)C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C24H24ClF3N4O2/c1-13-6-8-16(10-14(13)2)19-30-20(32-22(31-19)34-5)17-11-15(7-9-18(17)25)12-29-21(33)23(3,4)24(26,27)28/h6-11H,12H2,1-5H3,(H,29,33)
InChIKeyOKYNMGDSDLWIOE-UHFFFAOYSA-N
XLogP5.69
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.93
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-[4-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide?
The IUPAC name of N-[[4-chloro-3-[4-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide (CID 118380410) is N-[[4-chloro-3-[4-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[4-chloro-3-[4-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide?
The canonical SMILES for N-[[4-chloro-3-[4-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide is COc1nc(-c2ccc(C)c(C)c2)nc(-c2cc(CNC(=O)C(C)(C)C(F)(F)F)ccc2Cl)n1.
What is the InChIKey of N-[[4-chloro-3-[4-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide?
The InChIKey is OKYNMGDSDLWIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N4O2/c1-13-6-8-16(10-14(13)2)19-30-20(32-22(31-19)34-5)17-11-15(7-9-18(17)25)12-29-21(33)23(3,4)24(26,27)28/h6-11H,12H2,1-5H3,(H,29,33).
What are the key properties of N-[[4-chloro-3-[4-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide?
N-[[4-chloro-3-[4-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide has a molecular weight of 492.93 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-[4-(3,4-dimethylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide is sourced from PubChem (CID 118380410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).