3,3-bis(4-fluorophenyl)-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide

C20H19F2N3O — CID 59232671

IUPAC3,3-bis(4-fluorophenyl)-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)Nc1ncc[nH]1)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H19F2N3O/c1-20(2,18(26)25-19-23-11-12-24-19)17(13-3-7-15(21)8-4-13)14-5-9-16(22)10-6-14/h3-12,17H,1-2H3,(H2,23,24,25,26)
InChIKeyZEZAAUHKFDXPJU-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.48
Rot. Bonds5

About 3,3-bis(4-fluorophenyl)-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide

3,3-bis(4-fluorophenyl)-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide (PubChem CID 59232671) has the molecular formula C20H19F2N3O and a molecular weight of 355.39 g/mol. Its IUPAC name is 3,3-bis(4-fluorophenyl)-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3,3-bis(4-fluorophenyl)-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide
PubChem CID59232671
Molecular FormulaC20H19F2N3O
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name3,3-bis(4-fluorophenyl)-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)Nc1ncc[nH]1)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H19F2N3O/c1-20(2,18(26)25-19-23-11-12-24-19)17(13-3-7-15(21)8-4-13)14-5-9-16(22)10-6-14/h3-12,17H,1-2H3,(H2,23,24,25,26)
InChIKeyZEZAAUHKFDXPJU-UHFFFAOYSA-N
XLogP4.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-fluorophenyl)-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of 3,3-bis(4-fluorophenyl)-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide (CID 59232671) is 3,3-bis(4-fluorophenyl)-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3,3-bis(4-fluorophenyl)-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for 3,3-bis(4-fluorophenyl)-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide is CC(C)(C(=O)Nc1ncc[nH]1)C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 3,3-bis(4-fluorophenyl)-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide?
The InChIKey is ZEZAAUHKFDXPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O/c1-20(2,18(26)25-19-23-11-12-24-19)17(13-3-7-15(21)8-4-13)14-5-9-16(22)10-6-14/h3-12,17H,1-2H3,(H2,23,24,25,26).
What are the key properties of 3,3-bis(4-fluorophenyl)-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide?
3,3-bis(4-fluorophenyl)-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide has a molecular weight of 355.39 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-fluorophenyl)-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 59232671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).