cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide

C16H12F4N2O2 — CID 95977222

About cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide (PubChem CID 95977222) has the molecular formula C16H12F4N2O2 and a molecular weight of 340.28 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide
• PubChem CID: 95977222
• Molecular Formula: C16H12F4N2O2
• Molecular Weight: 340.28 g/mol
• Exact Mass: 340.08
• IUPAC Name: cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide
• SMILES: O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@@H]1C[C@@H]1c1cccc(F)c1
• InChI: InChI=1S/C16H12F4N2O2/c17-10-3-1-2-8(4-10)11-6-12(11)14(23)22-13-5-9(16(18,19)20)7-21-15(13)24/h1-5,7,11-12H,6H2,(H,21,24)(H,22,23)/t11-,12-/m1/s1
• InChIKey: FTQYCBXRGXTYMV-VXGBXAGGSA-N
• XLogP: 3.28
• TPSA: 61.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.28
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide?

The IUPAC name of cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide (CID 95977222) is cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide?

The canonical SMILES for cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide is O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@@H]1C[C@@H]1c1cccc(F)c1.

What is the InChIKey of cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide?

The InChIKey is FTQYCBXRGXTYMV-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H12F4N2O2/c17-10-3-1-2-8(4-10)11-6-12(11)14(23)22-13-5-9(16(18,19)20)7-21-15(13)24/h1-5,7,11-12H,6H2,(H,21,24)(H,22,23)/t11-,12-/m1/s1.

What are the key properties of cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide?

cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 340.28 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95977222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).