5-bromo-3-(4-bromo-3-chloro-2-methylphenyl)imino-1H-indol-2-one

C15H9Br2ClN2O — CID 135559340

IUPAC5-bromo-3-(4-bromo-3-chloro-2-methylphenyl)imino-1H-indol-2-one
SMILESCc1c(/N=C2\C(=O)Nc3ccc(Br)cc32)ccc(Br)c1Cl
InChIInChI=1S/C15H9Br2ClN2O/c1-7-11(5-3-10(17)13(7)18)19-14-9-6-8(16)2-4-12(9)20-15(14)21/h2-6H,1H3,(H,19,20,21)
InChIKeyPXAXVMKTZSVVAE-UHFFFAOYSA-N
MW428.51 g/mol
LogP5.25
Rot. Bonds1

About 5-bromo-3-(4-bromo-3-chloro-2-methylphenyl)imino-1H-indol-2-one

5-bromo-3-(4-bromo-3-chloro-2-methylphenyl)imino-1H-indol-2-one (PubChem CID 135559340) has the molecular formula C15H9Br2ClN2O and a molecular weight of 428.51 g/mol. Its IUPAC name is 5-bromo-3-(4-bromo-3-chloro-2-methylphenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-(4-bromo-3-chloro-2-methylphenyl)imino-1H-indol-2-one
PubChem CID135559340
Molecular FormulaC15H9Br2ClN2O
Molecular Weight428.51 g/mol
Exact Mass425.88
IUPAC Name5-bromo-3-(4-bromo-3-chloro-2-methylphenyl)imino-1H-indol-2-one
SMILESCc1c(/N=C2\C(=O)Nc3ccc(Br)cc32)ccc(Br)c1Cl
InChIInChI=1S/C15H9Br2ClN2O/c1-7-11(5-3-10(17)13(7)18)19-14-9-6-8(16)2-4-12(9)20-15(14)21/h2-6H,1H3,(H,19,20,21)
InChIKeyPXAXVMKTZSVVAE-UHFFFAOYSA-N
XLogP5.25
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-(2,3-dimethylphenyl)imino-1H-indol-2-one
CID 135420156
5-bromo-3-(4-bromo-2-methylphenyl)imino-6-chloro-7-methyl-1H-indol-2-one
CID 135559807
5-bromo-3-(5-chloro-2-hydroxyphenyl)imino-1H-indol-2-one
CID 135467452
5-bromo-3-(2-methoxyphenyl)imino-1H-indol-2-one
CID 135458707
3-(3-chloro-2-methylphenyl)imino-5-methyl-1H-indol-2-one
CID 135559374
5-bromo-3-(4-fluorophenyl)imino-1H-indol-2-one
CID 135559321
5-bromo-3-isoquinolin-4-ylimino-1H-indol-2-one
CID 166085831
5-bromo-3-(4-methoxyphenyl)imino-1H-indol-2-one
CID 135400370
5-bromo-3-(4-bromophenyl)imino-6-chloro-7-methyl-1H-indol-2-one
CID 135559779
3-(4-bromo-2-methylphenyl)imino-7-methyl-1H-indol-2-one
CID 135559452
5-bromo-3-(4-ethoxyphenyl)imino-1H-indol-2-one
CID 135460924
2-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-3,4,5-trihydroxybenzoic acid
CID 136992655

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-bromo-3-chloro-2-methylphenyl)imino-1H-indol-2-one?
The IUPAC name of 5-bromo-3-(4-bromo-3-chloro-2-methylphenyl)imino-1H-indol-2-one (CID 135559340) is 5-bromo-3-(4-bromo-3-chloro-2-methylphenyl)imino-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-(4-bromo-3-chloro-2-methylphenyl)imino-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-(4-bromo-3-chloro-2-methylphenyl)imino-1H-indol-2-one is Cc1c(/N=C2\C(=O)Nc3ccc(Br)cc32)ccc(Br)c1Cl.
What is the InChIKey of 5-bromo-3-(4-bromo-3-chloro-2-methylphenyl)imino-1H-indol-2-one?
The InChIKey is PXAXVMKTZSVVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2ClN2O/c1-7-11(5-3-10(17)13(7)18)19-14-9-6-8(16)2-4-12(9)20-15(14)21/h2-6H,1H3,(H,19,20,21).
What are the key properties of 5-bromo-3-(4-bromo-3-chloro-2-methylphenyl)imino-1H-indol-2-one?
5-bromo-3-(4-bromo-3-chloro-2-methylphenyl)imino-1H-indol-2-one has a molecular weight of 428.51 g/mol, XLogP of 5.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-bromo-3-chloro-2-methylphenyl)imino-1H-indol-2-one is sourced from PubChem (CID 135559340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).