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

C24H23ClF4N4O3 — CID 118399806

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

(2R)-N-[1-[4-chloro-3-[4-(4-fluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide (PubChem CID 118399806) has the molecular formula C24H23ClF4N4O3 and a molecular weight of 526.92 g/mol. Its IUPAC name is (2R)-N-[1-[4-chloro-3-[4-(4-fluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide.

Molecular Properties

• Compound Name: (2R)-N-[1-[4-chloro-3-[4-(4-fluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide
• PubChem CID: 118399806
• Molecular Formula: C24H23ClF4N4O3
• Molecular Weight: 526.92 g/mol
• Exact Mass: 526.14
• IUPAC Name: (2R)-N-[1-[4-chloro-3-[4-(4-fluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide
• SMILES: COc1nc(-c2ccc(F)c(C)c2)nc(-c2cc(C(C)NC(=O)[C@@](C)(OC)C(F)(F)F)ccc2Cl)n1
• InChI: InChI=1S/C24H23ClF4N4O3/c1-12-10-15(7-9-18(12)26)19-31-20(33-22(32-19)35-4)16-11-14(6-8-17(16)25)13(2)30-21(34)23(3,36-5)24(27,28)29/h6-11,13H,1-5H3,(H,30,34)/t13?,23-/m1/s1
• InChIKey: ROLOVJQENCIEJN-KBEVUASJSA-N
• XLogP: 5.46
• TPSA: 86.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.92
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2R)-N-[1-[4-chloro-3-[4-(4-fluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide (CID 118399806) is (2R)-N-[1-[4-chloro-3-[4-(4-fluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide.

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

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

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

The InChIKey is ROLOVJQENCIEJN-KBEVUASJSA-N. The full InChI is InChI=1S/C24H23ClF4N4O3/c1-12-10-15(7-9-18(12)26)19-31-20(33-22(32-19)35-4)16-11-14(6-8-17(16)25)13(2)30-21(34)23(3,36-5)24(27,28)29/h6-11,13H,1-5H3,(H,30,34)/t13?,23-/m1/s1.

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

(2R)-N-[1-[4-chloro-3-[4-(4-fluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide has a molecular weight of 526.92 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[1-[4-chloro-3-[4-(4-fluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 118399806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).