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

C23H21Cl2F3N4O3 — CID 118380459

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

(2R)-N-[[4-chloro-3-[4-(4-chloro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide (PubChem CID 118380459) has the molecular formula C23H21Cl2F3N4O3 and a molecular weight of 529.35 g/mol. Its IUPAC name is (2R)-N-[[4-chloro-3-[4-(4-chloro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide.

Molecular Properties

• Compound Name: (2R)-N-[[4-chloro-3-[4-(4-chloro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide
• PubChem CID: 118380459
• Molecular Formula: C23H21Cl2F3N4O3
• Molecular Weight: 529.35 g/mol
• Exact Mass: 528.09
• IUPAC Name: (2R)-N-[[4-chloro-3-[4-(4-chloro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide
• SMILES: COc1nc(-c2ccc(Cl)c(C)c2)nc(-c2cc(CNC(=O)[C@@](C)(OC)C(F)(F)F)ccc2Cl)n1
• InChI: InChI=1S/C23H21Cl2F3N4O3/c1-12-9-14(6-8-16(12)24)18-30-19(32-21(31-18)34-3)15-10-13(5-7-17(15)25)11-29-20(33)22(2,35-4)23(26,27)28/h5-10H,11H2,1-4H3,(H,29,33)/t22-/m1/s1
• InChIKey: ZMTBJRNJWVXZQP-JOCHJYFZSA-N
• XLogP: 5.41
• TPSA: 86.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.35
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-chloro-3-[4-(4-chloro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide?

The IUPAC name of (2R)-N-[[4-chloro-3-[4-(4-chloro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide (CID 118380459) is (2R)-N-[[4-chloro-3-[4-(4-chloro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide.

What is the SMILES notation for (2R)-N-[[4-chloro-3-[4-(4-chloro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide?

The canonical SMILES for (2R)-N-[[4-chloro-3-[4-(4-chloro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide is COc1nc(-c2ccc(Cl)c(C)c2)nc(-c2cc(CNC(=O)[C@@](C)(OC)C(F)(F)F)ccc2Cl)n1.

What is the InChIKey of (2R)-N-[[4-chloro-3-[4-(4-chloro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide?

The InChIKey is ZMTBJRNJWVXZQP-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H21Cl2F3N4O3/c1-12-9-14(6-8-16(12)24)18-30-19(32-21(31-18)34-3)15-10-13(5-7-17(15)25)11-29-20(33)22(2,35-4)23(26,27)28/h5-10H,11H2,1-4H3,(H,29,33)/t22-/m1/s1.

What are the key properties of (2R)-N-[[4-chloro-3-[4-(4-chloro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide?

(2R)-N-[[4-chloro-3-[4-(4-chloro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide has a molecular weight of 529.35 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[[4-chloro-3-[4-(4-chloro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 118380459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).