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

C25H25Cl2F3N4O2 — CID 126617470

IUPACN-[[4-chloro-3-[4-(4-chloro-3-propan-2-ylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
SMILESCOc1nc(-c2ccc(Cl)c(C(C)C)c2)nc(-c2cc(CNC(=O)C(C)(C)C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C25H25Cl2F3N4O2/c1-13(2)16-11-15(7-9-18(16)26)20-32-21(34-23(33-20)36-5)17-10-14(6-8-19(17)27)12-31-22(35)24(3,4)25(28,29)30/h6-11,13H,12H2,1-5H3,(H,31,35)
InChIKeyPXSFDPSIBIIPBO-UHFFFAOYSA-N
MW541.40 g/mol
LogP6.85
Rot. Bonds7

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

N-[[4-chloro-3-[4-(4-chloro-3-propan-2-ylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide (PubChem CID 126617470) has the molecular formula C25H25Cl2F3N4O2 and a molecular weight of 541.40 g/mol. Its IUPAC name is N-[[4-chloro-3-[4-(4-chloro-3-propan-2-ylphenyl)-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-(4-chloro-3-propan-2-ylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
PubChem CID126617470
Molecular FormulaC25H25Cl2F3N4O2
Molecular Weight541.40 g/mol
Exact Mass540.13
IUPAC NameN-[[4-chloro-3-[4-(4-chloro-3-propan-2-ylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
SMILESCOc1nc(-c2ccc(Cl)c(C(C)C)c2)nc(-c2cc(CNC(=O)C(C)(C)C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C25H25Cl2F3N4O2/c1-13(2)16-11-15(7-9-18(16)26)20-32-21(34-23(33-20)36-5)17-10-14(6-8-19(17)27)12-31-22(35)24(3,4)25(28,29)30/h6-11,13H,12H2,1-5H3,(H,31,35)
InChIKeyPXSFDPSIBIIPBO-UHFFFAOYSA-N
XLogP6.85
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.40
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-chloro-3-[4-(4-chloro-3-propan-2-ylphenyl)-6-methoxy-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-(4-chloro-3-propan-2-ylphenyl)-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-(4-chloro-3-propan-2-ylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide (CID 126617470) is N-[[4-chloro-3-[4-(4-chloro-3-propan-2-ylphenyl)-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-(4-chloro-3-propan-2-ylphenyl)-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-(4-chloro-3-propan-2-ylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide is COc1nc(-c2ccc(Cl)c(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-(4-chloro-3-propan-2-ylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide?
The InChIKey is PXSFDPSIBIIPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2F3N4O2/c1-13(2)16-11-15(7-9-18(16)26)20-32-21(34-23(33-20)36-5)17-10-14(6-8-19(17)27)12-31-22(35)24(3,4)25(28,29)30/h6-11,13H,12H2,1-5H3,(H,31,35).
What are the key properties of N-[[4-chloro-3-[4-(4-chloro-3-propan-2-ylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide?
N-[[4-chloro-3-[4-(4-chloro-3-propan-2-ylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide has a molecular weight of 541.40 g/mol, XLogP of 6.85, 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-(4-chloro-3-propan-2-ylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide is sourced from PubChem (CID 126617470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).