2,2,2-trifluoro-N-[1-[(2-fluoro-5-phenylphenyl)methyl]-4-(methylamino)cyclohexyl]acetamide

C22H24F4N2O — CID 87718758

IUPAC2,2,2-trifluoro-N-[1-[(2-fluoro-5-phenylphenyl)methyl]-4-(methylamino)cyclohexyl]acetamide
SMILESCNC1CCC(Cc2cc(-c3ccccc3)ccc2F)(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C22H24F4N2O/c1-27-18-9-11-21(12-10-18,28-20(29)22(24,25)26)14-17-13-16(7-8-19(17)23)15-5-3-2-4-6-15/h2-8,13,18,27H,9-12,14H2,1H3,(H,28,29)
InChIKeyGBOGZVJXPVHYDV-UHFFFAOYSA-N
MW408.44 g/mol
LogP4.61
Rot. Bonds5

About 2,2,2-trifluoro-N-[1-[(2-fluoro-5-phenylphenyl)methyl]-4-(methylamino)cyclohexyl]acetamide

2,2,2-trifluoro-N-[1-[(2-fluoro-5-phenylphenyl)methyl]-4-(methylamino)cyclohexyl]acetamide (PubChem CID 87718758) has the molecular formula C22H24F4N2O and a molecular weight of 408.44 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-[(2-fluoro-5-phenylphenyl)methyl]-4-(methylamino)cyclohexyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-[(2-fluoro-5-phenylphenyl)methyl]-4-(methylamino)cyclohexyl]acetamide
PubChem CID87718758
Molecular FormulaC22H24F4N2O
Molecular Weight408.44 g/mol
Exact Mass408.18
IUPAC Name2,2,2-trifluoro-N-[1-[(2-fluoro-5-phenylphenyl)methyl]-4-(methylamino)cyclohexyl]acetamide
SMILESCNC1CCC(Cc2cc(-c3ccccc3)ccc2F)(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C22H24F4N2O/c1-27-18-9-11-21(12-10-18,28-20(29)22(24,25)26)14-17-13-16(7-8-19(17)23)15-5-3-2-4-6-15/h2-8,13,18,27H,9-12,14H2,1H3,(H,28,29)
InChIKeyGBOGZVJXPVHYDV-UHFFFAOYSA-N
XLogP4.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-[(2-fluoro-5-phenylphenyl)methyl]-4-(methylamino)cyclohexyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-[(2-fluoro-5-phenylphenyl)methyl]-4-(methylamino)cyclohexyl]acetamide (CID 87718758) is 2,2,2-trifluoro-N-[1-[(2-fluoro-5-phenylphenyl)methyl]-4-(methylamino)cyclohexyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-[(2-fluoro-5-phenylphenyl)methyl]-4-(methylamino)cyclohexyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-[(2-fluoro-5-phenylphenyl)methyl]-4-(methylamino)cyclohexyl]acetamide is CNC1CCC(Cc2cc(-c3ccccc3)ccc2F)(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-[(2-fluoro-5-phenylphenyl)methyl]-4-(methylamino)cyclohexyl]acetamide?
The InChIKey is GBOGZVJXPVHYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4N2O/c1-27-18-9-11-21(12-10-18,28-20(29)22(24,25)26)14-17-13-16(7-8-19(17)23)15-5-3-2-4-6-15/h2-8,13,18,27H,9-12,14H2,1H3,(H,28,29).
What are the key properties of 2,2,2-trifluoro-N-[1-[(2-fluoro-5-phenylphenyl)methyl]-4-(methylamino)cyclohexyl]acetamide?
2,2,2-trifluoro-N-[1-[(2-fluoro-5-phenylphenyl)methyl]-4-(methylamino)cyclohexyl]acetamide has a molecular weight of 408.44 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-[(2-fluoro-5-phenylphenyl)methyl]-4-(methylamino)cyclohexyl]acetamide is sourced from PubChem (CID 87718758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).