N-[(1R)-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]ethyl]-3-[(1S,2S)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]propanamide

C17H17F8NO4 — CID 177251719

About N-[(1R)-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]ethyl]-3-[(1S,2S)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]propanamide

N-[(1R)-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]ethyl]-3-[(1S,2S)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]propanamide (PubChem CID 177251719) has the molecular formula C17H17F8NO4 and a molecular weight of 451.31 g/mol. Its IUPAC name is N-[(1R)-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]ethyl]-3-[(1S,2S)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]propanamide.

Molecular Properties

• Compound Name: N-[(1R)-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]ethyl]-3-[(1S,2S)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]propanamide
• PubChem CID: 177251719
• Molecular Formula: C17H17F8NO4
• Molecular Weight: 451.31 g/mol
• Exact Mass: 451.10
• IUPAC Name: N-[(1R)-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]ethyl]-3-[(1S,2S)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]propanamide
• SMILES: O=C(CC[C@]1(C(F)(F)F)C[C@@H]1O)N[C@@H](COC(F)F)c1cccc(OC(F)(F)F)c1
• InChI: InChI=1S/C17H17F8NO4/c18-14(19)29-8-11(9-2-1-3-10(6-9)30-17(23,24)25)26-13(28)4-5-15(7-12(15)27)16(20,21)22/h1-3,6,11-12,14,27H,4-5,7-8H2,(H,26,28)/t11-,12-,15-/m0/s1
• InChIKey: IAMLWLRKWAANPT-HUBLWGQQSA-N
• XLogP: 4.08
• TPSA: 67.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.31
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]ethyl]-3-[(1S,2S)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]propanamide?

The IUPAC name of N-[(1R)-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]ethyl]-3-[(1S,2S)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]propanamide (CID 177251719) is N-[(1R)-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]ethyl]-3-[(1S,2S)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]propanamide.

What is the SMILES notation for N-[(1R)-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]ethyl]-3-[(1S,2S)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]propanamide?

The canonical SMILES for N-[(1R)-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]ethyl]-3-[(1S,2S)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]propanamide is O=C(CC[C@]1(C(F)(F)F)C[C@@H]1O)N[C@@H](COC(F)F)c1cccc(OC(F)(F)F)c1.

What is the InChIKey of N-[(1R)-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]ethyl]-3-[(1S,2S)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]propanamide?

The InChIKey is IAMLWLRKWAANPT-HUBLWGQQSA-N. The full InChI is InChI=1S/C17H17F8NO4/c18-14(19)29-8-11(9-2-1-3-10(6-9)30-17(23,24)25)26-13(28)4-5-15(7-12(15)27)16(20,21)22/h1-3,6,11-12,14,27H,4-5,7-8H2,(H,26,28)/t11-,12-,15-/m0/s1.

What are the key properties of N-[(1R)-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]ethyl]-3-[(1S,2S)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]propanamide?

N-[(1R)-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]ethyl]-3-[(1S,2S)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]propanamide has a molecular weight of 451.31 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]ethyl]-3-[(1S,2S)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]propanamide is sourced from PubChem (CID 177251719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).