3-cyclopropyl-3-(4-fluorophenyl)-N-methylpropanamide

C13H16FNO — CID 82080009

IUPAC3-cyclopropyl-3-(4-fluorophenyl)-N-methylpropanamide
SMILESCNC(=O)CC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C13H16FNO/c1-15-13(16)8-12(9-2-3-9)10-4-6-11(14)7-5-10/h4-7,9,12H,2-3,8H2,1H3,(H,15,16)
InChIKeyUOFUWPUUCTUQFJ-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.46
Rot. Bonds4

About 3-cyclopropyl-3-(4-fluorophenyl)-N-methylpropanamide

3-cyclopropyl-3-(4-fluorophenyl)-N-methylpropanamide (PubChem CID 82080009) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-fluorophenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-fluorophenyl)-N-methylpropanamide
PubChem CID82080009
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name3-cyclopropyl-3-(4-fluorophenyl)-N-methylpropanamide
SMILESCNC(=O)CC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C13H16FNO/c1-15-13(16)8-12(9-2-3-9)10-4-6-11(14)7-5-10/h4-7,9,12H,2-3,8H2,1H3,(H,15,16)
InChIKeyUOFUWPUUCTUQFJ-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,5S)-1,5-dicyclopropyl-1,5-bis(4-fluorophenyl)pentan-3-one
CID 97304327
3-cyclohexyl-3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 110354814
(3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid
CID 51711852
2-cyclopropyl-2-(4-fluorophenyl)ethanol
CID 82075045
3-(4-fluorophenyl)-N,4,4-trimethylpentanamide
CID 82083910
ethyl 3-(4-fluorophenyl)-3-piperidin-4-ylpropanoate
CID 18071355
2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,4-dimethylpentanamide
CID 43792190
N-[2-cyclopropyl-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine
CID 113456690
3-cyclopropyl-N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)propanamide
CID 110306942
3-cyclopropyl-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide
CID 110615565
ethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propanoate
CID 61498267
methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate
CID 82077609

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-fluorophenyl)-N-methylpropanamide?
The IUPAC name of 3-cyclopropyl-3-(4-fluorophenyl)-N-methylpropanamide (CID 82080009) is 3-cyclopropyl-3-(4-fluorophenyl)-N-methylpropanamide.
What is the SMILES notation for 3-cyclopropyl-3-(4-fluorophenyl)-N-methylpropanamide?
The canonical SMILES for 3-cyclopropyl-3-(4-fluorophenyl)-N-methylpropanamide is CNC(=O)CC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(4-fluorophenyl)-N-methylpropanamide?
The InChIKey is UOFUWPUUCTUQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-15-13(16)8-12(9-2-3-9)10-4-6-11(14)7-5-10/h4-7,9,12H,2-3,8H2,1H3,(H,15,16).
What are the key properties of 3-cyclopropyl-3-(4-fluorophenyl)-N-methylpropanamide?
3-cyclopropyl-3-(4-fluorophenyl)-N-methylpropanamide has a molecular weight of 221.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(4-fluorophenyl)-N-methylpropanamide is sourced from PubChem (CID 82080009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).