3-(2-amino-4-bromo-5-fluoroanilino)piperidine-2,6-dione

C11H11BrFN3O2 — CID 66110561

IUPAC3-(2-amino-4-bromo-5-fluoroanilino)piperidine-2,6-dione
SMILESNc1cc(Br)c(F)cc1NC1CCC(=O)NC1=O
InChIInChI=1S/C11H11BrFN3O2/c12-5-3-7(14)9(4-6(5)13)15-8-1-2-10(17)16-11(8)18/h3-4,8,15H,1-2,14H2,(H,16,17,18)
InChIKeyMAMPPLQMWHHFCG-UHFFFAOYSA-N
MW316.13 g/mol
LogP1.39
Rot. Bonds2

About 3-(2-amino-4-bromo-5-fluoroanilino)piperidine-2,6-dione

3-(2-amino-4-bromo-5-fluoroanilino)piperidine-2,6-dione (PubChem CID 66110561) has the molecular formula C11H11BrFN3O2 and a molecular weight of 316.13 g/mol. Its IUPAC name is 3-(2-amino-4-bromo-5-fluoroanilino)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-amino-4-bromo-5-fluoroanilino)piperidine-2,6-dione
PubChem CID66110561
Molecular FormulaC11H11BrFN3O2
Molecular Weight316.13 g/mol
Exact Mass315.00
IUPAC Name3-(2-amino-4-bromo-5-fluoroanilino)piperidine-2,6-dione
SMILESNc1cc(Br)c(F)cc1NC1CCC(=O)NC1=O
InChIInChI=1S/C11H11BrFN3O2/c12-5-3-7(14)9(4-6(5)13)15-8-1-2-10(17)16-11(8)18/h3-4,8,15H,1-2,14H2,(H,16,17,18)
InChIKeyMAMPPLQMWHHFCG-UHFFFAOYSA-N
XLogP1.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.13
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-4-bromo-5-fluoroanilino)pyrrolidin-2-one
CID 106183031
3-(4-bromo-2-fluoroanilino)piperidine-2,6-dione
CID 172609781
3-(2,5-difluoroanilino)piperidine-2,6-dione
CID 170749830
3-(4-ethyl-2,5-difluoroanilino)piperidine-2,6-dione
CID 176683649
3-(4-ethyl-5-fluoro-2-methoxyanilino)piperidine-2,6-dione
CID 170749804
3-[5-bromo-2-(trifluoromethyl)anilino]piperidine-2,6-dione
CID 107286372
3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 156505691
ethane;ethene;3-(2-fluoroanilino)piperidine-2,6-dione;molecular hydrogen
CID 176683577
3-[(2-amino-3-pyridinyl)amino]piperidine-2,6-dione
CID 104540520
3-[2-fluoro-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 166116987
4-bromo-1-N-(3,4-dihydro-2H-chromen-4-yl)-5-fluorobenzene-1,2-diamine
CID 66112506
4-bromo-5-fluoro-1-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 66109766

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-bromo-5-fluoroanilino)piperidine-2,6-dione?
The IUPAC name of 3-(2-amino-4-bromo-5-fluoroanilino)piperidine-2,6-dione (CID 66110561) is 3-(2-amino-4-bromo-5-fluoroanilino)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-amino-4-bromo-5-fluoroanilino)piperidine-2,6-dione?
The canonical SMILES for 3-(2-amino-4-bromo-5-fluoroanilino)piperidine-2,6-dione is Nc1cc(Br)c(F)cc1NC1CCC(=O)NC1=O.
What is the InChIKey of 3-(2-amino-4-bromo-5-fluoroanilino)piperidine-2,6-dione?
The InChIKey is MAMPPLQMWHHFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O2/c12-5-3-7(14)9(4-6(5)13)15-8-1-2-10(17)16-11(8)18/h3-4,8,15H,1-2,14H2,(H,16,17,18).
What are the key properties of 3-(2-amino-4-bromo-5-fluoroanilino)piperidine-2,6-dione?
3-(2-amino-4-bromo-5-fluoroanilino)piperidine-2,6-dione has a molecular weight of 316.13 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-bromo-5-fluoroanilino)piperidine-2,6-dione is sourced from PubChem (CID 66110561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).