4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

C17H17F6N3O2 — CID 55521865

IUPAC4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC(O)(c1nccn1C)C(F)(F)F
InChIInChI=1S/C17H17F6N3O2/c1-25-8-7-24-14(25)15(28,17(21,22)23)9-13(27)26(2)10-11-3-5-12(6-4-11)16(18,19)20/h3-8,28H,9-10H2,1-2H3
InChIKeyHZMFYWZIFXOFBB-UHFFFAOYSA-N
MW409.33 g/mol
LogP3.24
Rot. Bonds5

About 4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 55521865) has the molecular formula C17H17F6N3O2 and a molecular weight of 409.33 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID55521865
Molecular FormulaC17H17F6N3O2
Molecular Weight409.33 g/mol
Exact Mass409.12
IUPAC Name4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC(O)(c1nccn1C)C(F)(F)F
InChIInChI=1S/C17H17F6N3O2/c1-25-8-7-24-14(25)15(28,17(21,22)23)9-13(27)26(2)10-11-3-5-12(6-4-11)16(18,19)20/h3-8,28H,9-10H2,1-2H3
InChIKeyHZMFYWZIFXOFBB-UHFFFAOYSA-N
XLogP3.24
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide (CID 55521865) is 4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide is CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC(O)(c1nccn1C)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is HZMFYWZIFXOFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F6N3O2/c1-25-8-7-24-14(25)15(28,17(21,22)23)9-13(27)26(2)10-11-3-5-12(6-4-11)16(18,19)20/h3-8,28H,9-10H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 409.33 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 55521865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).