5-bromo-3-(3-chlorophenyl)imino-7-methyl-1H-indol-2-one

C15H10BrClN2O — CID 135559702

IUPAC5-bromo-3-(3-chlorophenyl)imino-7-methyl-1H-indol-2-one
SMILESCc1cc(Br)cc2c1NC(=O)/C2=N\c1cccc(Cl)c1
InChIInChI=1S/C15H10BrClN2O/c1-8-5-9(16)6-12-13(8)19-15(20)14(12)18-11-4-2-3-10(17)7-11/h2-7H,1H3,(H,18,19,20)
InChIKeyVSUPUXOMNWSRPU-UHFFFAOYSA-N
MW349.62 g/mol
LogP4.48
Rot. Bonds1

About 5-bromo-3-(3-chlorophenyl)imino-7-methyl-1H-indol-2-one

5-bromo-3-(3-chlorophenyl)imino-7-methyl-1H-indol-2-one (PubChem CID 135559702) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 5-bromo-3-(3-chlorophenyl)imino-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-(3-chlorophenyl)imino-7-methyl-1H-indol-2-one
PubChem CID135559702
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name5-bromo-3-(3-chlorophenyl)imino-7-methyl-1H-indol-2-one
SMILESCc1cc(Br)cc2c1NC(=O)/C2=N\c1cccc(Cl)c1
InChIInChI=1S/C15H10BrClN2O/c1-8-5-9(16)6-12-13(8)19-15(20)14(12)18-11-4-2-3-10(17)7-11/h2-7H,1H3,(H,18,19,20)
InChIKeyVSUPUXOMNWSRPU-UHFFFAOYSA-N
XLogP4.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 54.48
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-7-methyl-3-(4-nitrophenyl)imino-1H-indol-2-one
CID 135559733
5-bromo-3-(4-ethoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135559696
5-bromo-7-methyl-3-(4-naphthalen-1-yloxyphenyl)imino-1H-indol-2-one
CID 135559686
5-bromo-3-[4-(4-tert-butylphenoxy)phenyl]imino-7-methyl-1H-indol-2-one
CID 135559714
7-methyl-3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one
CID 135559461
3-(4-bromo-2-methylphenyl)imino-7-methyl-1H-indol-2-one
CID 135559452
5-bromo-7-ethyl-3-(4-methylphenyl)imino-1H-indol-2-one
CID 135501542
5-bromo-3-(4-bromophenyl)imino-6-chloro-7-methyl-1H-indol-2-one
CID 135559779
5-bromo-3-(2,5-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135559720
3-(4-methoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135449508
7-methyl-3-(2-methylphenyl)imino-1H-indol-2-one
CID 135559433
5-bromo-3-(4-bromo-2-methylphenyl)imino-6-chloro-7-methyl-1H-indol-2-one
CID 135559807

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-chlorophenyl)imino-7-methyl-1H-indol-2-one?
The IUPAC name of 5-bromo-3-(3-chlorophenyl)imino-7-methyl-1H-indol-2-one (CID 135559702) is 5-bromo-3-(3-chlorophenyl)imino-7-methyl-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-(3-chlorophenyl)imino-7-methyl-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-(3-chlorophenyl)imino-7-methyl-1H-indol-2-one is Cc1cc(Br)cc2c1NC(=O)/C2=N\c1cccc(Cl)c1.
What is the InChIKey of 5-bromo-3-(3-chlorophenyl)imino-7-methyl-1H-indol-2-one?
The InChIKey is VSUPUXOMNWSRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c1-8-5-9(16)6-12-13(8)19-15(20)14(12)18-11-4-2-3-10(17)7-11/h2-7H,1H3,(H,18,19,20).
What are the key properties of 5-bromo-3-(3-chlorophenyl)imino-7-methyl-1H-indol-2-one?
5-bromo-3-(3-chlorophenyl)imino-7-methyl-1H-indol-2-one has a molecular weight of 349.62 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-chlorophenyl)imino-7-methyl-1H-indol-2-one is sourced from PubChem (CID 135559702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).