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

C24H24ClF3N4O3 — CID 136965053

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

(2R)-N-[[4-chloro-3-[6-oxo-4-(3-propan-2-ylphenyl)-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide (PubChem CID 136965053) has the molecular formula C24H24ClF3N4O3 and a molecular weight of 508.93 g/mol. Its IUPAC name is (2R)-N-[[4-chloro-3-[6-oxo-4-(3-propan-2-ylphenyl)-1H-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-[6-oxo-4-(3-propan-2-ylphenyl)-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide
• PubChem CID: 136965053
• Molecular Formula: C24H24ClF3N4O3
• Molecular Weight: 508.93 g/mol
• Exact Mass: 508.15
• IUPAC Name: (2R)-N-[[4-chloro-3-[6-oxo-4-(3-propan-2-ylphenyl)-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide
• SMILES: CO[C@](C)(C(=O)NCc1ccc(Cl)c(-c2nc(-c3cccc(C(C)C)c3)nc(=O)[nH]2)c1)C(F)(F)F
• InChI: InChI=1S/C24H24ClF3N4O3/c1-13(2)15-6-5-7-16(11-15)19-30-20(32-22(34)31-19)17-10-14(8-9-18(17)25)12-29-21(33)23(3,35-4)24(26,27)28/h5-11,13H,12H2,1-4H3,(H,29,33)(H,30,31,32,34)/t23-/m1/s1
• InChIKey: MHHNJGROPOOGJF-HSZRJFAPSA-N
• XLogP: 4.86
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.93
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-chloro-3-[6-oxo-4-(3-propan-2-ylphenyl)-1H-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-[6-oxo-4-(3-propan-2-ylphenyl)-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide (CID 136965053) is (2R)-N-[[4-chloro-3-[6-oxo-4-(3-propan-2-ylphenyl)-1H-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-[6-oxo-4-(3-propan-2-ylphenyl)-1H-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-[6-oxo-4-(3-propan-2-ylphenyl)-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide is CO[C@](C)(C(=O)NCc1ccc(Cl)c(-c2nc(-c3cccc(C(C)C)c3)nc(=O)[nH]2)c1)C(F)(F)F.

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

The InChIKey is MHHNJGROPOOGJF-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H24ClF3N4O3/c1-13(2)15-6-5-7-16(11-15)19-30-20(32-22(34)31-19)17-10-14(8-9-18(17)25)12-29-21(33)23(3,35-4)24(26,27)28/h5-11,13H,12H2,1-4H3,(H,29,33)(H,30,31,32,34)/t23-/m1/s1.

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

(2R)-N-[[4-chloro-3-[6-oxo-4-(3-propan-2-ylphenyl)-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide has a molecular weight of 508.93 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[[4-chloro-3-[6-oxo-4-(3-propan-2-ylphenyl)-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 136965053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).