3-(4-fluorophenyl)-3-(propylamino)propanamide

C12H17FN2O — CID 65235429

IUPAC3-(4-fluorophenyl)-3-(propylamino)propanamide
SMILESCCCNC(CC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c1-2-7-15-11(8-12(14)16)9-3-5-10(13)6-4-9/h3-6,11,15H,2,7-8H2,1H3,(H2,14,16)
InChIKeyLJVKFNNYXBOILJ-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.74
Rot. Bonds6

About 3-(4-fluorophenyl)-3-(propylamino)propanamide

3-(4-fluorophenyl)-3-(propylamino)propanamide (PubChem CID 65235429) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(propylamino)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(propylamino)propanamide
PubChem CID65235429
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name3-(4-fluorophenyl)-3-(propylamino)propanamide
SMILESCCCNC(CC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c1-2-7-15-11(8-12(14)16)9-3-5-10(13)6-4-9/h3-6,11,15H,2,7-8H2,1H3,(H2,14,16)
InChIKeyLJVKFNNYXBOILJ-UHFFFAOYSA-N
XLogP1.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-3-(propylamino)propanamide
CID 65235689
3-(4-tert-butylphenyl)-3-(propylamino)propanamide
CID 65236000
3-(3,4-dimethylphenyl)-3-(propylamino)propanamide
CID 65235384
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(propylamino)propanamide
CID 115351332
3-(3-methylphenyl)-3-(propylamino)propanamide
CID 65235426
3-(6-methoxy-3-pyridinyl)-3-(propylamino)propanamide
CID 114938790
3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propanamide
CID 65234349
(3S)-3-phenyl-3-(propylamino)propanoic acid
CID 66918405
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379
4-(4-fluorophenyl)-4-hydroxy-3-(propylamino)butanoic acid
CID 82347951
3-(4-fluoroanilino)pentanamide
CID 76725039

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(propylamino)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-3-(propylamino)propanamide (CID 65235429) is 3-(4-fluorophenyl)-3-(propylamino)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(propylamino)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-3-(propylamino)propanamide is CCCNC(CC(N)=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(propylamino)propanamide?
The InChIKey is LJVKFNNYXBOILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-2-7-15-11(8-12(14)16)9-3-5-10(13)6-4-9/h3-6,11,15H,2,7-8H2,1H3,(H2,14,16).
What are the key properties of 3-(4-fluorophenyl)-3-(propylamino)propanamide?
3-(4-fluorophenyl)-3-(propylamino)propanamide has a molecular weight of 224.28 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(propylamino)propanamide is sourced from PubChem (CID 65235429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).