trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide

C19H19F3N2O2 — CID 146460797

About trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide (PubChem CID 146460797) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
• PubChem CID: 146460797
• Molecular Formula: C19H19F3N2O2
• Molecular Weight: 364.37 g/mol
• Exact Mass: 364.14
• IUPAC Name: trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
• SMILES: CC(NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(OCC(F)(F)F)cn1
• InChI: InChI=1S/C19H19F3N2O2/c1-12(17-8-7-14(10-23-17)26-11-19(20,21)22)24-18(25)16-9-15(16)13-5-3-2-4-6-13/h2-8,10,12,15-16H,9,11H2,1H3,(H,24,25)/t12?,15-,16+/m1/s1
• InChIKey: RPFFDYGVARKYRZ-AGIABQAESA-N
• XLogP: 4.00
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.37
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide?

The IUPAC name of trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide (CID 146460797) is trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide?

The canonical SMILES for trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide is CC(NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(OCC(F)(F)F)cn1.

What is the InChIKey of trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide?

The InChIKey is RPFFDYGVARKYRZ-AGIABQAESA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-12(17-8-7-14(10-23-17)26-11-19(20,21)22)24-18(25)16-9-15(16)13-5-3-2-4-6-13/h2-8,10,12,15-16H,9,11H2,1H3,(H,24,25)/t12?,15-,16+/m1/s1.

What are the key properties of trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide?

trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 146460797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).