N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide

C24H18ClF7N4O3 — CID 136964914

About N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide

N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide (PubChem CID 136964914) has the molecular formula C24H18ClF7N4O3 and a molecular weight of 578.87 g/mol. Its IUPAC name is N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

• Compound Name: N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide
• PubChem CID: 136964914
• Molecular Formula: C24H18ClF7N4O3
• Molecular Weight: 578.87 g/mol
• Exact Mass: 578.10
• IUPAC Name: N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide
• SMILES: O=C(NCc1ccc(Cl)c(-c2nc(-c3ccc(OCC4CC4)cc3)nc(=O)[nH]2)c1)C(F)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C24H18ClF7N4O3/c25-17-8-3-13(10-33-20(37)22(26,23(27,28)29)24(30,31)32)9-16(17)19-34-18(35-21(38)36-19)14-4-6-15(7-5-14)39-11-12-1-2-12/h3-9,12H,1-2,10-11H2,(H,33,37)(H,34,35,36,38)
• InChIKey: HXOFSJMTZUJVQJ-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.87
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide?

The IUPAC name of N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide (CID 136964914) is N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide.

What is the SMILES notation for N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide?

The canonical SMILES for N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide is O=C(NCc1ccc(Cl)c(-c2nc(-c3ccc(OCC4CC4)cc3)nc(=O)[nH]2)c1)C(F)(C(F)(F)F)C(F)(F)F.

What is the InChIKey of N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide?

The InChIKey is HXOFSJMTZUJVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF7N4O3/c25-17-8-3-13(10-33-20(37)22(26,23(27,28)29)24(30,31)32)9-16(17)19-34-18(35-21(38)36-19)14-4-6-15(7-5-14)39-11-12-1-2-12/h3-9,12H,1-2,10-11H2,(H,33,37)(H,34,35,36,38).

What are the key properties of N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide?

N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide has a molecular weight of 578.87 g/mol, XLogP of 5.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 136964914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).