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

C15H13F6N3O3 — CID 134042876

IUPAC4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide
SMILESCn1ccnc1C(O)(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C15H13F6N3O3/c1-24-7-6-22-12(24)13(26,14(16,17)18)8-11(25)23-9-2-4-10(5-3-9)27-15(19,20)21/h2-7,26H,8H2,1H3,(H,23,25)
InChIKeyRIQFMHQAKKKAIW-UHFFFAOYSA-N
MW397.28 g/mol
LogP3.10
Rot. Bonds5

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

4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide (PubChem CID 134042876) has the molecular formula C15H13F6N3O3 and a molecular weight of 397.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide
PubChem CID134042876
Molecular FormulaC15H13F6N3O3
Molecular Weight397.28 g/mol
Exact Mass397.09
IUPAC Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide
SMILESCn1ccnc1C(O)(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C15H13F6N3O3/c1-24-7-6-22-12(24)13(26,14(16,17)18)8-11(25)23-9-2-4-10(5-3-9)27-15(19,20)21/h2-7,26H,8H2,1H3,(H,23,25)
InChIKeyRIQFMHQAKKKAIW-UHFFFAOYSA-N
XLogP3.10
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide (CID 134042876) is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide is Cn1ccnc1C(O)(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide?
The InChIKey is RIQFMHQAKKKAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F6N3O3/c1-24-7-6-22-12(24)13(26,14(16,17)18)8-11(25)23-9-2-4-10(5-3-9)27-15(19,20)21/h2-7,26H,8H2,1H3,(H,23,25).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide?
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide has a molecular weight of 397.28 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide is sourced from PubChem (CID 134042876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).