4-amino-3-(4-fluoroanilino)-1-pyrrolidin-1-ylbutan-1-one

C14H20FN3O — CID 66432533

IUPAC4-amino-3-(4-fluoroanilino)-1-pyrrolidin-1-ylbutan-1-one
SMILESNCC(CC(=O)N1CCCC1)Nc1ccc(F)cc1
InChIInChI=1S/C14H20FN3O/c15-11-3-5-12(6-4-11)17-13(10-16)9-14(19)18-7-1-2-8-18/h3-6,13,17H,1-2,7-10,16H2
InChIKeyOSJHHHDMDURLGE-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.58
Rot. Bonds5

About 4-amino-3-(4-fluoroanilino)-1-pyrrolidin-1-ylbutan-1-one

4-amino-3-(4-fluoroanilino)-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 66432533) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-amino-3-(4-fluoroanilino)-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-amino-3-(4-fluoroanilino)-1-pyrrolidin-1-ylbutan-1-one
PubChem CID66432533
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name4-amino-3-(4-fluoroanilino)-1-pyrrolidin-1-ylbutan-1-one
SMILESNCC(CC(=O)N1CCCC1)Nc1ccc(F)cc1
InChIInChI=1S/C14H20FN3O/c15-11-3-5-12(6-4-11)17-13(10-16)9-14(19)18-7-1-2-8-18/h3-6,13,17H,1-2,7-10,16H2
InChIKeyOSJHHHDMDURLGE-UHFFFAOYSA-N
XLogP1.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82083612
3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 143845941
1-[4-fluoro-3-(4-fluoroanilino)butanoyl]pyrrolidin-2-one
CID 135063478
4-amino-3-(2-hydroxyethylamino)-1-piperidin-1-ylbutan-1-one
CID 66431112
4-amino-3-(2-methylpropylamino)-1-piperidin-1-ylbutan-1-one
CID 66431528
4-amino-3-(but-3-ynylamino)-1-pyrrolidin-1-ylbutan-1-one
CID 116641104
2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 56883388
3-(4-fluorophenyl)-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide
CID 110633755
(2-oxo-2-pyrrolidin-1-ylethyl) 4-fluorobenzoate
CID 2371316
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81347710
N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 894307
3-(4-fluoroanilino)pentanamide
CID 76725039

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-fluoroanilino)-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 4-amino-3-(4-fluoroanilino)-1-pyrrolidin-1-ylbutan-1-one (CID 66432533) is 4-amino-3-(4-fluoroanilino)-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 4-amino-3-(4-fluoroanilino)-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 4-amino-3-(4-fluoroanilino)-1-pyrrolidin-1-ylbutan-1-one is NCC(CC(=O)N1CCCC1)Nc1ccc(F)cc1.
What is the InChIKey of 4-amino-3-(4-fluoroanilino)-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is OSJHHHDMDURLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c15-11-3-5-12(6-4-11)17-13(10-16)9-14(19)18-7-1-2-8-18/h3-6,13,17H,1-2,7-10,16H2.
What are the key properties of 4-amino-3-(4-fluoroanilino)-1-pyrrolidin-1-ylbutan-1-one?
4-amino-3-(4-fluoroanilino)-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 265.33 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-fluoroanilino)-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 66432533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).