5-bromo-3-[1-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one

C16H14BrFN2O — CID 43201955

IUPAC5-bromo-3-[1-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one
SMILESCC(NC1C(=O)Nc2ccc(Br)cc21)c1ccc(F)cc1
InChIInChI=1S/C16H14BrFN2O/c1-9(10-2-5-12(18)6-3-10)19-15-13-8-11(17)4-7-14(13)20-16(15)21/h2-9,15,19H,1H3,(H,20,21)
InChIKeyMQXJQZGLOJJNEU-UHFFFAOYSA-N
MW349.20 g/mol
LogP3.93
Rot. Bonds3

About 5-bromo-3-[1-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one

5-bromo-3-[1-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one (PubChem CID 43201955) has the molecular formula C16H14BrFN2O and a molecular weight of 349.20 g/mol. Its IUPAC name is 5-bromo-3-[1-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-[1-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one
PubChem CID43201955
Molecular FormulaC16H14BrFN2O
Molecular Weight349.20 g/mol
Exact Mass348.03
IUPAC Name5-bromo-3-[1-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one
SMILESCC(NC1C(=O)Nc2ccc(Br)cc21)c1ccc(F)cc1
InChIInChI=1S/C16H14BrFN2O/c1-9(10-2-5-12(18)6-3-10)19-15-13-8-11(17)4-7-14(13)20-16(15)21/h2-9,15,19H,1H3,(H,20,21)
InChIKeyMQXJQZGLOJJNEU-UHFFFAOYSA-N
XLogP3.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-bromo-3-[1-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-3-[1-(3-bromophenyl)ethylamino]-1,3-dihydroindol-2-one
CID 43673277
5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43190207
5-bromo-3-[1-(2-chlorophenyl)ethylamino]-1,3-dihydroindol-2-one
CID 43094852
5-bromo-3-(1-methoxypropan-2-ylamino)-1,3-dihydroindol-2-one
CID 43191810
N-[2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethyl]-2-methylpropanamide
CID 43202942
5-bromo-3-(cyclohexylamino)-1,3-dihydroindol-2-one
CID 43189941
5-fluoro-3-(2,4,6-tribromoanilino)-1,3-dihydroindol-2-one
CID 43126295
3-[1-(2-bromophenyl)ethylamino]-5-chloro-1,3-dihydroindol-2-one
CID 43680023
5-bromo-3-(prop-2-enylamino)-1,3-dihydroindol-2-one
CID 43189550
5-bromo-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124419
(3R)-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188763
5-bromo-3-(cyclohexylmethylamino)-1,3-dihydroindol-2-one
CID 43371475

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[1-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-[1-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one (CID 43201955) is 5-bromo-3-[1-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-[1-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-[1-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one is CC(NC1C(=O)Nc2ccc(Br)cc21)c1ccc(F)cc1.
What is the InChIKey of 5-bromo-3-[1-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one?
The InChIKey is MQXJQZGLOJJNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O/c1-9(10-2-5-12(18)6-3-10)19-15-13-8-11(17)4-7-14(13)20-16(15)21/h2-9,15,19H,1H3,(H,20,21).
What are the key properties of 5-bromo-3-[1-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one?
5-bromo-3-[1-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one has a molecular weight of 349.20 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[1-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43201955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).