N-dibenzofuran-3-yl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide

C20H16F3N3O3 — CID 55693260

IUPACN-dibenzofuran-3-yl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
SMILESCn1ccnc1C(O)(CC(=O)Nc1ccc2c(c1)oc1ccccc12)C(F)(F)F
InChIInChI=1S/C20H16F3N3O3/c1-26-9-8-24-18(26)19(28,20(21,22)23)11-17(27)25-12-6-7-14-13-4-2-3-5-15(13)29-16(14)10-12/h2-10,28H,11H2,1H3,(H,25,27)
InChIKeyNNXAHSZDYATAQE-UHFFFAOYSA-N
MW403.36 g/mol
LogP4.10
Rot. Bonds4

About N-dibenzofuran-3-yl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide

N-dibenzofuran-3-yl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide (PubChem CID 55693260) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
PubChem CID55693260
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC NameN-dibenzofuran-3-yl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
SMILESCn1ccnc1C(O)(CC(=O)Nc1ccc2c(c1)oc1ccccc12)C(F)(F)F
InChIInChI=1S/C20H16F3N3O3/c1-26-9-8-24-18(26)19(28,20(21,22)23)11-17(27)25-12-6-7-14-13-4-2-3-5-15(13)29-16(14)10-12/h2-10,28H,11H2,1H3,(H,25,27)
InChIKeyNNXAHSZDYATAQE-UHFFFAOYSA-N
XLogP4.10
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The IUPAC name of N-dibenzofuran-3-yl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide (CID 55693260) is N-dibenzofuran-3-yl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide.
What is the SMILES notation for N-dibenzofuran-3-yl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The canonical SMILES for N-dibenzofuran-3-yl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide is Cn1ccnc1C(O)(CC(=O)Nc1ccc2c(c1)oc1ccccc12)C(F)(F)F.
What is the InChIKey of N-dibenzofuran-3-yl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The InChIKey is NNXAHSZDYATAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c1-26-9-8-24-18(26)19(28,20(21,22)23)11-17(27)25-12-6-7-14-13-4-2-3-5-15(13)29-16(14)10-12/h2-10,28H,11H2,1H3,(H,25,27).
What are the key properties of N-dibenzofuran-3-yl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
N-dibenzofuran-3-yl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide has a molecular weight of 403.36 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide is sourced from PubChem (CID 55693260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).