3-(4-tert-butylphenyl)-2-(4-fluorophenyl)propanamide

C19H22FNO — CID 68577173

IUPAC3-(4-tert-butylphenyl)-2-(4-fluorophenyl)propanamide
SMILESCC(C)(C)c1ccc(CC(C(N)=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO/c1-19(2,3)15-8-4-13(5-9-15)12-17(18(21)22)14-6-10-16(20)11-7-14/h4-11,17H,12H2,1-3H3,(H2,21,22)
InChIKeyOQDMDHBYLVDDNC-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.93
Rot. Bonds4

About 3-(4-tert-butylphenyl)-2-(4-fluorophenyl)propanamide

3-(4-tert-butylphenyl)-2-(4-fluorophenyl)propanamide (PubChem CID 68577173) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-2-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-2-(4-fluorophenyl)propanamide
PubChem CID68577173
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name3-(4-tert-butylphenyl)-2-(4-fluorophenyl)propanamide
SMILESCC(C)(C)c1ccc(CC(C(N)=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO/c1-19(2,3)15-8-4-13(5-9-15)12-17(18(21)22)14-6-10-16(20)11-7-14/h4-11,17H,12H2,1-3H3,(H2,21,22)
InChIKeyOQDMDHBYLVDDNC-UHFFFAOYSA-N
XLogP3.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylphenyl)-2-(4-fluorophenyl)-3-(4-pentan-3-ylphenyl)propan-1-one
CID 143696076
2-(4-tert-butylphenyl)pentanamide
CID 10728355
4-[2-(4-tert-butylphenyl)-1-carboxyethyl]benzoic acid
CID 82140106
3-(4-tert-butylphenyl)-2-hydroxypropanamide
CID 69343223
2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 82093362
2-(4-fluorophenyl)butanediamide
CID 69053213
(2R)-2-(4-tert-butylphenyl)-4-phenylbutanamide
CID 129383585
N-(2-cyanopropan-2-yl)-2,3-bis(4-fluorophenyl)propanamide
CID 110615037
2-(4-tert-butylphenyl)-3-[4-(dimethylamino)phenyl]propanoic acid
CID 82141249
3-(4-tert-butylphenyl)-2-chloropropanoyl chloride
CID 82054690
(3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one
CID 129364574
1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one
CID 135032816

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-2-(4-fluorophenyl)propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-2-(4-fluorophenyl)propanamide (CID 68577173) is 3-(4-tert-butylphenyl)-2-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-2-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-2-(4-fluorophenyl)propanamide is CC(C)(C)c1ccc(CC(C(N)=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-2-(4-fluorophenyl)propanamide?
The InChIKey is OQDMDHBYLVDDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO/c1-19(2,3)15-8-4-13(5-9-15)12-17(18(21)22)14-6-10-16(20)11-7-14/h4-11,17H,12H2,1-3H3,(H2,21,22).
What are the key properties of 3-(4-tert-butylphenyl)-2-(4-fluorophenyl)propanamide?
3-(4-tert-butylphenyl)-2-(4-fluorophenyl)propanamide has a molecular weight of 299.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-2-(4-fluorophenyl)propanamide is sourced from PubChem (CID 68577173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).