N-[7-[[4-(2,2-difluoroethoxy)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]-1-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

C24H31F5N2O4 — CID 155865063

About N-[7-[[4-(2,2-difluoroethoxy)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]-1-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

N-[7-[[4-(2,2-difluoroethoxy)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]-1-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155865063) has the molecular formula C24H31F5N2O4 and a molecular weight of 506.51 g/mol. Its IUPAC name is N-[7-[[4-(2,2-difluoroethoxy)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]-1-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[7-[[4-(2,2-difluoroethoxy)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]-1-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155865063
• Molecular Formula: C24H31F5N2O4
• Molecular Weight: 506.51 g/mol
• Exact Mass: 506.22
• IUPAC Name: N-[7-[[4-(2,2-difluoroethoxy)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]-1-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CC1(C(=O)NC2CC3(CCN(Cc4ccc(OCC(F)F)cc4)CC3)C2)CC1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H30F2N2O2.C2HF3O2/c1-21(6-7-21)20(27)25-17-12-22(13-17)8-10-26(11-9-22)14-16-2-4-18(5-3-16)28-15-19(23)24;3-2(4,5)1(6)7/h2-5,17,19H,6-15H2,1H3,(H,25,27);(H,6,7)
• InChIKey: IWOBUBAUMXNTGO-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 78.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.51
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[7-[[4-(2,2-difluoroethoxy)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]-1-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[7-[[4-(2,2-difluoroethoxy)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]-1-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (CID 155865063) is N-[7-[[4-(2,2-difluoroethoxy)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]-1-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[7-[[4-(2,2-difluoroethoxy)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]-1-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[7-[[4-(2,2-difluoroethoxy)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]-1-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is CC1(C(=O)NC2CC3(CCN(Cc4ccc(OCC(F)F)cc4)CC3)C2)CC1.O=C(O)C(F)(F)F.

What is the InChIKey of N-[7-[[4-(2,2-difluoroethoxy)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]-1-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is IWOBUBAUMXNTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F2N2O2.C2HF3O2/c1-21(6-7-21)20(27)25-17-12-22(13-17)8-10-26(11-9-22)14-16-2-4-18(5-3-16)28-15-19(23)24;3-2(4,5)1(6)7/h2-5,17,19H,6-15H2,1H3,(H,25,27);(H,6,7).

What are the key properties of N-[7-[[4-(2,2-difluoroethoxy)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]-1-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?

N-[7-[[4-(2,2-difluoroethoxy)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]-1-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 506.51 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-[[4-(2,2-difluoroethoxy)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]-1-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155865063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).