2,2-bis(4-fluorophenyl)-3-methylbutanamide

C17H17F2NO — CID 18457039

IUPAC2,2-bis(4-fluorophenyl)-3-methylbutanamide
SMILESCC(C)C(C(N)=O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H17F2NO/c1-11(2)17(16(20)21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11H,1-2H3,(H2,20,21)
InChIKeyOYKRPLXZYOIMIT-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.39
Rot. Bonds4

About 2,2-bis(4-fluorophenyl)-3-methylbutanamide

2,2-bis(4-fluorophenyl)-3-methylbutanamide (PubChem CID 18457039) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is 2,2-bis(4-fluorophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2,2-bis(4-fluorophenyl)-3-methylbutanamide
PubChem CID18457039
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2,2-bis(4-fluorophenyl)-3-methylbutanamide
SMILESCC(C)C(C(N)=O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H17F2NO/c1-11(2)17(16(20)21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11H,1-2H3,(H2,20,21)
InChIKeyOYKRPLXZYOIMIT-UHFFFAOYSA-N
XLogP3.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-Phenylcyclopentanecarboxamide
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CID 101072
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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-fluorophenyl)-3-methylbutanamide?
The IUPAC name of 2,2-bis(4-fluorophenyl)-3-methylbutanamide (CID 18457039) is 2,2-bis(4-fluorophenyl)-3-methylbutanamide.
What is the SMILES notation for 2,2-bis(4-fluorophenyl)-3-methylbutanamide?
The canonical SMILES for 2,2-bis(4-fluorophenyl)-3-methylbutanamide is CC(C)C(C(N)=O)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2,2-bis(4-fluorophenyl)-3-methylbutanamide?
The InChIKey is OYKRPLXZYOIMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-11(2)17(16(20)21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11H,1-2H3,(H2,20,21).
What are the key properties of 2,2-bis(4-fluorophenyl)-3-methylbutanamide?
2,2-bis(4-fluorophenyl)-3-methylbutanamide has a molecular weight of 289.33 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-fluorophenyl)-3-methylbutanamide is sourced from PubChem (CID 18457039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).