(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroindazol-2-yl)-2-hydroxy-2-methylpropanamide

C19H14F4N4O2 — CID 126505237

About (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroindazol-2-yl)-2-hydroxy-2-methylpropanamide

(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroindazol-2-yl)-2-hydroxy-2-methylpropanamide (PubChem CID 126505237) has the molecular formula C19H14F4N4O2 and a molecular weight of 406.34 g/mol. Its IUPAC name is (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroindazol-2-yl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

• Compound Name: (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroindazol-2-yl)-2-hydroxy-2-methylpropanamide
• PubChem CID: 126505237
• Molecular Formula: C19H14F4N4O2
• Molecular Weight: 406.34 g/mol
• Exact Mass: 406.11
• IUPAC Name: (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroindazol-2-yl)-2-hydroxy-2-methylpropanamide
• SMILES: C[C@](O)(Cn1cc2c(F)cccc2n1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
• InChI: InChI=1S/C19H14F4N4O2/c1-18(29,10-27-9-13-15(20)3-2-4-16(13)26-27)17(28)25-12-6-5-11(8-24)14(7-12)19(21,22)23/h2-7,9,29H,10H2,1H3,(H,25,28)/t18-/m0/s1
• InChIKey: GNKRCWCBKCBEPG-SFHVURJKSA-N
• XLogP: 3.46
• TPSA: 90.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.34
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroindazol-2-yl)-2-hydroxy-2-methylpropanamide?

The IUPAC name of (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroindazol-2-yl)-2-hydroxy-2-methylpropanamide (CID 126505237) is (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroindazol-2-yl)-2-hydroxy-2-methylpropanamide.

What is the SMILES notation for (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroindazol-2-yl)-2-hydroxy-2-methylpropanamide?

The canonical SMILES for (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroindazol-2-yl)-2-hydroxy-2-methylpropanamide is C[C@](O)(Cn1cc2c(F)cccc2n1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.

What is the InChIKey of (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroindazol-2-yl)-2-hydroxy-2-methylpropanamide?

The InChIKey is GNKRCWCBKCBEPG-SFHVURJKSA-N. The full InChI is InChI=1S/C19H14F4N4O2/c1-18(29,10-27-9-13-15(20)3-2-4-16(13)26-27)17(28)25-12-6-5-11(8-24)14(7-12)19(21,22)23/h2-7,9,29H,10H2,1H3,(H,25,28)/t18-/m0/s1.

What are the key properties of (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroindazol-2-yl)-2-hydroxy-2-methylpropanamide?

(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroindazol-2-yl)-2-hydroxy-2-methylpropanamide has a molecular weight of 406.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroindazol-2-yl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 126505237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).