3,3,3-trifluoro-N-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-hydroxy-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide

C32H22F7N3O2 — CID 71460333

About 3,3,3-trifluoro-N-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-hydroxy-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide

3,3,3-trifluoro-N-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-hydroxy-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide (PubChem CID 71460333) has the molecular formula C32H22F7N3O2 and a molecular weight of 613.53 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-hydroxy-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3,3,3-trifluoro-N-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-hydroxy-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide
• PubChem CID: 71460333
• Molecular Formula: C32H22F7N3O2
• Molecular Weight: 613.53 g/mol
• Exact Mass: 613.16
• IUPAC Name: 3,3,3-trifluoro-N-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-hydroxy-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide
• SMILES: C[C@H](NC(=O)C(O)(c1ccc(-c2ccc3cccnc3n2)cc1)C(F)(F)F)c1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1
• InChI: InChI=1S/C32H22F7N3O2/c1-18(19-4-6-20(7-5-19)23-10-14-26(33)25(17-23)31(34,35)36)41-29(43)30(44,32(37,38)39)24-12-8-21(9-13-24)27-15-11-22-3-2-16-40-28(22)42-27/h2-18,44H,1H3,(H,41,43)/t18-,30?/m0/s1
• InChIKey: IRMAYPNFECPMPF-RZQQEOIVSA-N
• XLogP: 7.75
• TPSA: 75.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.53
LogP ≤ 5	7.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-hydroxy-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide?

The IUPAC name of 3,3,3-trifluoro-N-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-hydroxy-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide (CID 71460333) is 3,3,3-trifluoro-N-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-hydroxy-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide.

What is the SMILES notation for 3,3,3-trifluoro-N-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-hydroxy-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide?

The canonical SMILES for 3,3,3-trifluoro-N-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-hydroxy-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide is C[C@H](NC(=O)C(O)(c1ccc(-c2ccc3cccnc3n2)cc1)C(F)(F)F)c1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1.

What is the InChIKey of 3,3,3-trifluoro-N-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-hydroxy-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide?

The InChIKey is IRMAYPNFECPMPF-RZQQEOIVSA-N. The full InChI is InChI=1S/C32H22F7N3O2/c1-18(19-4-6-20(7-5-19)23-10-14-26(33)25(17-23)31(34,35)36)41-29(43)30(44,32(37,38)39)24-12-8-21(9-13-24)27-15-11-22-3-2-16-40-28(22)42-27/h2-18,44H,1H3,(H,41,43)/t18-,30?/m0/s1.

What are the key properties of 3,3,3-trifluoro-N-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-hydroxy-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide?

3,3,3-trifluoro-N-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-hydroxy-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide has a molecular weight of 613.53 g/mol, XLogP of 7.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,3-trifluoro-N-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-hydroxy-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide is sourced from PubChem (CID 71460333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).