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

C26H26ClF3N4O2 — CID 126617496

IUPACN-[[4-chloro-3-[4-methoxy-6-[3-(1-methylcyclopropyl)phenyl]-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
SMILESCOc1nc(-c2cccc(C3(C)CC3)c2)nc(-c2cc(CNC(=O)C(C)(C)C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C26H26ClF3N4O2/c1-24(2,26(28,29)30)22(35)31-14-15-8-9-19(27)18(12-15)21-32-20(33-23(34-21)36-4)16-6-5-7-17(13-16)25(3)10-11-25/h5-9,12-13H,10-11,14H2,1-4H3,(H,31,35)
InChIKeyLLAQXFIPGBFIPF-UHFFFAOYSA-N
MW518.97 g/mol
LogP6.12
Rot. Bonds7

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

N-[[4-chloro-3-[4-methoxy-6-[3-(1-methylcyclopropyl)phenyl]-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide (PubChem CID 126617496) has the molecular formula C26H26ClF3N4O2 and a molecular weight of 518.97 g/mol. Its IUPAC name is N-[[4-chloro-3-[4-methoxy-6-[3-(1-methylcyclopropyl)phenyl]-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-chloro-3-[4-methoxy-6-[3-(1-methylcyclopropyl)phenyl]-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
PubChem CID126617496
Molecular FormulaC26H26ClF3N4O2
Molecular Weight518.97 g/mol
Exact Mass518.17
IUPAC NameN-[[4-chloro-3-[4-methoxy-6-[3-(1-methylcyclopropyl)phenyl]-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
SMILESCOc1nc(-c2cccc(C3(C)CC3)c2)nc(-c2cc(CNC(=O)C(C)(C)C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C26H26ClF3N4O2/c1-24(2,26(28,29)30)22(35)31-14-15-8-9-19(27)18(12-15)21-32-20(33-23(34-21)36-4)16-6-5-7-17(13-16)25(3)10-11-25/h5-9,12-13H,10-11,14H2,1-4H3,(H,31,35)
InChIKeyLLAQXFIPGBFIPF-UHFFFAOYSA-N
XLogP6.12
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.97
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-[4-methoxy-6-[3-(1-methylcyclopropyl)phenyl]-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide?
The IUPAC name of N-[[4-chloro-3-[4-methoxy-6-[3-(1-methylcyclopropyl)phenyl]-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide (CID 126617496) is N-[[4-chloro-3-[4-methoxy-6-[3-(1-methylcyclopropyl)phenyl]-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-methoxy-6-[3-(1-methylcyclopropyl)phenyl]-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide?
The canonical SMILES for N-[[4-chloro-3-[4-methoxy-6-[3-(1-methylcyclopropyl)phenyl]-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide is COc1nc(-c2cccc(C3(C)CC3)c2)nc(-c2cc(CNC(=O)C(C)(C)C(F)(F)F)ccc2Cl)n1.
What is the InChIKey of N-[[4-chloro-3-[4-methoxy-6-[3-(1-methylcyclopropyl)phenyl]-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide?
The InChIKey is LLAQXFIPGBFIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF3N4O2/c1-24(2,26(28,29)30)22(35)31-14-15-8-9-19(27)18(12-15)21-32-20(33-23(34-21)36-4)16-6-5-7-17(13-16)25(3)10-11-25/h5-9,12-13H,10-11,14H2,1-4H3,(H,31,35).
What are the key properties of N-[[4-chloro-3-[4-methoxy-6-[3-(1-methylcyclopropyl)phenyl]-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide?
N-[[4-chloro-3-[4-methoxy-6-[3-(1-methylcyclopropyl)phenyl]-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide has a molecular weight of 518.97 g/mol, XLogP of 6.12, 7 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-methoxy-6-[3-(1-methylcyclopropyl)phenyl]-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide is sourced from PubChem (CID 126617496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).