2,2-bis(4-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide

C20H19F2N3O — CID 15491328

IUPAC2,2-bis(4-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide
SMILESCc1nccn1CCC(C(N)=O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H19F2N3O/c1-14-24-11-13-25(14)12-10-20(19(23)26,15-2-6-17(21)7-3-15)16-4-8-18(22)9-5-16/h2-9,11,13H,10,12H2,1H3,(H2,23,26)
InChIKeyCBAINXCWELALIG-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.33
Rot. Bonds6

About 2,2-bis(4-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide

2,2-bis(4-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide (PubChem CID 15491328) has the molecular formula C20H19F2N3O and a molecular weight of 355.39 g/mol. Its IUPAC name is 2,2-bis(4-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide.

Molecular Properties

Compound Name2,2-bis(4-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide
PubChem CID15491328
Molecular FormulaC20H19F2N3O
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2,2-bis(4-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide
SMILESCc1nccn1CCC(C(N)=O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H19F2N3O/c1-14-24-11-13-25(14)12-10-20(19(23)26,15-2-6-17(21)7-3-15)16-4-8-18(22)9-5-16/h2-9,11,13H,10,12H2,1H3,(H2,23,26)
InChIKeyCBAINXCWELALIG-UHFFFAOYSA-N
XLogP3.33
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide?
The IUPAC name of 2,2-bis(4-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide (CID 15491328) is 2,2-bis(4-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide.
What is the SMILES notation for 2,2-bis(4-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide?
The canonical SMILES for 2,2-bis(4-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide is Cc1nccn1CCC(C(N)=O)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2,2-bis(4-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide?
The InChIKey is CBAINXCWELALIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O/c1-14-24-11-13-25(14)12-10-20(19(23)26,15-2-6-17(21)7-3-15)16-4-8-18(22)9-5-16/h2-9,11,13H,10,12H2,1H3,(H2,23,26).
What are the key properties of 2,2-bis(4-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide?
2,2-bis(4-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide has a molecular weight of 355.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide is sourced from PubChem (CID 15491328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).