3-[(Z)-2-(3-bromophenyl)ethenyl]-1-(2,6-dichlorophenyl)-3H-indol-2-one

C22H14BrCl2NO — CID 71719020

IUPAC3-[(Z)-2-(3-bromophenyl)ethenyl]-1-(2,6-dichlorophenyl)-3H-indol-2-one
SMILESO=C1C(/C=C\c2cccc(Br)c2)c2ccccc2N1c1c(Cl)cccc1Cl
InChIInChI=1S/C22H14BrCl2NO/c23-15-6-3-5-14(13-15)11-12-17-16-7-1-2-10-20(16)26(22(17)27)21-18(24)8-4-9-19(21)25/h1-13,17H/b12-11-
InChIKeyGAJJJCBQIHCEKO-QXMHVHEDSA-N
MW459.17 g/mol
LogP7.23
Rot. Bonds3

About 3-[(Z)-2-(3-bromophenyl)ethenyl]-1-(2,6-dichlorophenyl)-3H-indol-2-one

3-[(Z)-2-(3-bromophenyl)ethenyl]-1-(2,6-dichlorophenyl)-3H-indol-2-one (PubChem CID 71719020) has the molecular formula C22H14BrCl2NO and a molecular weight of 459.17 g/mol. Its IUPAC name is 3-[(Z)-2-(3-bromophenyl)ethenyl]-1-(2,6-dichlorophenyl)-3H-indol-2-one.

Molecular Properties

Compound Name3-[(Z)-2-(3-bromophenyl)ethenyl]-1-(2,6-dichlorophenyl)-3H-indol-2-one
PubChem CID71719020
Molecular FormulaC22H14BrCl2NO
Molecular Weight459.17 g/mol
Exact Mass456.96
IUPAC Name3-[(Z)-2-(3-bromophenyl)ethenyl]-1-(2,6-dichlorophenyl)-3H-indol-2-one
SMILESO=C1C(/C=C\c2cccc(Br)c2)c2ccccc2N1c1c(Cl)cccc1Cl
InChIInChI=1S/C22H14BrCl2NO/c23-15-6-3-5-14(13-15)11-12-17-16-7-1-2-10-20(16)26(22(17)27)21-18(24)8-4-9-19(21)25/h1-13,17H/b12-11-
InChIKeyGAJJJCBQIHCEKO-QXMHVHEDSA-N
XLogP7.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.17
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-(3-bromophenyl)ethenyl]-1-(2,6-dichlorophenyl)-3H-indol-2-one?
The IUPAC name of 3-[(Z)-2-(3-bromophenyl)ethenyl]-1-(2,6-dichlorophenyl)-3H-indol-2-one (CID 71719020) is 3-[(Z)-2-(3-bromophenyl)ethenyl]-1-(2,6-dichlorophenyl)-3H-indol-2-one.
What is the SMILES notation for 3-[(Z)-2-(3-bromophenyl)ethenyl]-1-(2,6-dichlorophenyl)-3H-indol-2-one?
The canonical SMILES for 3-[(Z)-2-(3-bromophenyl)ethenyl]-1-(2,6-dichlorophenyl)-3H-indol-2-one is O=C1C(/C=C\c2cccc(Br)c2)c2ccccc2N1c1c(Cl)cccc1Cl.
What is the InChIKey of 3-[(Z)-2-(3-bromophenyl)ethenyl]-1-(2,6-dichlorophenyl)-3H-indol-2-one?
The InChIKey is GAJJJCBQIHCEKO-QXMHVHEDSA-N. The full InChI is InChI=1S/C22H14BrCl2NO/c23-15-6-3-5-14(13-15)11-12-17-16-7-1-2-10-20(16)26(22(17)27)21-18(24)8-4-9-19(21)25/h1-13,17H/b12-11-.
What are the key properties of 3-[(Z)-2-(3-bromophenyl)ethenyl]-1-(2,6-dichlorophenyl)-3H-indol-2-one?
3-[(Z)-2-(3-bromophenyl)ethenyl]-1-(2,6-dichlorophenyl)-3H-indol-2-one has a molecular weight of 459.17 g/mol, XLogP of 7.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-(3-bromophenyl)ethenyl]-1-(2,6-dichlorophenyl)-3H-indol-2-one is sourced from PubChem (CID 71719020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).