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

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

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Related Compounds

3-(4-bromo-2-fluoroanilino)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylic acid
CID 140542623
4-(4-bromo-2-fluoroanilino)-3-fluoro-1,5-dimethylpyridin-2-one
CID 90144048
[4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxo-3-pyridinyl]-dioxidoazanium
CID 163661650
8-amino-7-(4-bromo-2-fluoroanilino)-6-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 70661928
(3-amino-3-oxopropyl) 7-(4-bromo-2-fluoroanilino)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 66771111
6-fluoro-7-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropoxy)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CID 42606321
CID 89023824
CID 89023824
4-(4-bromo-2-fluoroanilino)-3-methylbenzoic acid
CID 55224143
tert-butyl 8-amino-7-(4-bromo-2-fluoroanilino)-6-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-1-carboxylate
CID 67194720
N-(4-bromo-2-fluorophenyl)morpholine-4-sulfonamide
CID 28785168
4-(4-bromo-2-fluoroanilino)-1,5-bis(methylsulfonyl)-6-oxopyridine-3-carboxamide
CID 69489340
4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxopyridine-3-carboxylic acid;N-[(2-methylpropan-2-yl)oxy]decan-1-amine
CID 161073694

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).