7-(4-bromo-2-fluoroanilino)-6-fluoro-8-(methylamino)-2,3-dihydro-1H-indolizin-5-one

C15H14BrF2N3O — CID 70843615

IUPAC7-(4-bromo-2-fluoroanilino)-6-fluoro-8-(methylamino)-2,3-dihydro-1H-indolizin-5-one
SMILESCNc1c(Nc2ccc(Br)cc2F)c(F)c(=O)n2c1CCC2
InChIInChI=1S/C15H14BrF2N3O/c1-19-13-11-3-2-6-21(11)15(22)12(18)14(13)20-10-5-4-8(16)7-9(10)17/h4-5,7,19-20H,2-3,6H2,1H3
InChIKeyROLJRJTWSLQNTA-UHFFFAOYSA-N
MW370.20 g/mol
LogP3.62
Rot. Bonds3

About 7-(4-bromo-2-fluoroanilino)-6-fluoro-8-(methylamino)-2,3-dihydro-1H-indolizin-5-one

7-(4-bromo-2-fluoroanilino)-6-fluoro-8-(methylamino)-2,3-dihydro-1H-indolizin-5-one (PubChem CID 70843615) has the molecular formula C15H14BrF2N3O and a molecular weight of 370.20 g/mol. Its IUPAC name is 7-(4-bromo-2-fluoroanilino)-6-fluoro-8-(methylamino)-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name7-(4-bromo-2-fluoroanilino)-6-fluoro-8-(methylamino)-2,3-dihydro-1H-indolizin-5-one
PubChem CID70843615
Molecular FormulaC15H14BrF2N3O
Molecular Weight370.20 g/mol
Exact Mass369.03
IUPAC Name7-(4-bromo-2-fluoroanilino)-6-fluoro-8-(methylamino)-2,3-dihydro-1H-indolizin-5-one
SMILESCNc1c(Nc2ccc(Br)cc2F)c(F)c(=O)n2c1CCC2
InChIInChI=1S/C15H14BrF2N3O/c1-19-13-11-3-2-6-21(11)15(22)12(18)14(13)20-10-5-4-8(16)7-9(10)17/h4-5,7,19-20H,2-3,6H2,1H3
InChIKeyROLJRJTWSLQNTA-UHFFFAOYSA-N
XLogP3.62
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.20
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-2-fluoroanilino)-6-fluoro-8-(methylamino)-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of 7-(4-bromo-2-fluoroanilino)-6-fluoro-8-(methylamino)-2,3-dihydro-1H-indolizin-5-one (CID 70843615) is 7-(4-bromo-2-fluoroanilino)-6-fluoro-8-(methylamino)-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for 7-(4-bromo-2-fluoroanilino)-6-fluoro-8-(methylamino)-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for 7-(4-bromo-2-fluoroanilino)-6-fluoro-8-(methylamino)-2,3-dihydro-1H-indolizin-5-one is CNc1c(Nc2ccc(Br)cc2F)c(F)c(=O)n2c1CCC2.
What is the InChIKey of 7-(4-bromo-2-fluoroanilino)-6-fluoro-8-(methylamino)-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is ROLJRJTWSLQNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N3O/c1-19-13-11-3-2-6-21(11)15(22)12(18)14(13)20-10-5-4-8(16)7-9(10)17/h4-5,7,19-20H,2-3,6H2,1H3.
What are the key properties of 7-(4-bromo-2-fluoroanilino)-6-fluoro-8-(methylamino)-2,3-dihydro-1H-indolizin-5-one?
7-(4-bromo-2-fluoroanilino)-6-fluoro-8-(methylamino)-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 370.20 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-2-fluoroanilino)-6-fluoro-8-(methylamino)-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 70843615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).