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

C16H14Br2N2O — CID 43673277

IUPAC5-bromo-3-[1-(3-bromophenyl)ethylamino]-1,3-dihydroindol-2-one
SMILESCC(NC1C(=O)Nc2ccc(Br)cc21)c1cccc(Br)c1
InChIInChI=1S/C16H14Br2N2O/c1-9(10-3-2-4-11(17)7-10)19-15-13-8-12(18)5-6-14(13)20-16(15)21/h2-9,15,19H,1H3,(H,20,21)
InChIKeyVIMLTYZFIZTDGS-UHFFFAOYSA-N
MW410.11 g/mol
LogP4.56
Rot. Bonds3

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

5-bromo-3-[1-(3-bromophenyl)ethylamino]-1,3-dihydroindol-2-one (PubChem CID 43673277) has the molecular formula C16H14Br2N2O and a molecular weight of 410.11 g/mol. Its IUPAC name is 5-bromo-3-[1-(3-bromophenyl)ethylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-[1-(3-bromophenyl)ethylamino]-1,3-dihydroindol-2-one
PubChem CID43673277
Molecular FormulaC16H14Br2N2O
Molecular Weight410.11 g/mol
Exact Mass407.95
IUPAC Name5-bromo-3-[1-(3-bromophenyl)ethylamino]-1,3-dihydroindol-2-one
SMILESCC(NC1C(=O)Nc2ccc(Br)cc21)c1cccc(Br)c1
InChIInChI=1S/C16H14Br2N2O/c1-9(10-3-2-4-11(17)7-10)19-15-13-8-12(18)5-6-14(13)20-16(15)21/h2-9,15,19H,1H3,(H,20,21)
InChIKeyVIMLTYZFIZTDGS-UHFFFAOYSA-N
XLogP4.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.11
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-[1-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one
CID 43201955
5-bromo-3-[1-(2-chlorophenyl)ethylamino]-1,3-dihydroindol-2-one
CID 43094852
5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43190207
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
3-[1-(2-bromophenyl)ethylamino]-5-chloro-1,3-dihydroindol-2-one
CID 43680023
6-bromo-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-dihydroindol-2-one
CID 43703115
1-N-[(1S)-1-(3-bromophenyl)ethyl]cyclobutane-1,3-diamine
CID 81382055
N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
CID 28555572
5-bromo-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124419
5-bromo-3-(cyclohexylmethylamino)-1,3-dihydroindol-2-one
CID 43371475
5-bromo-3-[(4-methylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 43196080

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[1-(3-bromophenyl)ethylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-[1-(3-bromophenyl)ethylamino]-1,3-dihydroindol-2-one (CID 43673277) is 5-bromo-3-[1-(3-bromophenyl)ethylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-[1-(3-bromophenyl)ethylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-[1-(3-bromophenyl)ethylamino]-1,3-dihydroindol-2-one is CC(NC1C(=O)Nc2ccc(Br)cc21)c1cccc(Br)c1.
What is the InChIKey of 5-bromo-3-[1-(3-bromophenyl)ethylamino]-1,3-dihydroindol-2-one?
The InChIKey is VIMLTYZFIZTDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2N2O/c1-9(10-3-2-4-11(17)7-10)19-15-13-8-12(18)5-6-14(13)20-16(15)21/h2-9,15,19H,1H3,(H,20,21).
What are the key properties of 5-bromo-3-[1-(3-bromophenyl)ethylamino]-1,3-dihydroindol-2-one?
5-bromo-3-[1-(3-bromophenyl)ethylamino]-1,3-dihydroindol-2-one has a molecular weight of 410.11 g/mol, XLogP of 4.56, 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-(3-bromophenyl)ethylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43673277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).