5-[bromo-(2,3-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one

C15H9BrCl3NO — CID 63443106

IUPAC5-[bromo-(2,3-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Br)c3cccc(Cl)c3Cl)c(Cl)cc2N1
InChIInChI=1S/C15H9BrCl3NO/c16-14(8-2-1-3-10(17)15(8)19)9-4-7-5-13(21)20-12(7)6-11(9)18/h1-4,6,14H,5H2,(H,20,21)
InChIKeyBDCMCMLVSRDSAS-UHFFFAOYSA-N
MW405.51 g/mol
LogP5.63
Rot. Bonds2

About 5-[bromo-(2,3-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one

5-[bromo-(2,3-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 63443106) has the molecular formula C15H9BrCl3NO and a molecular weight of 405.51 g/mol. Its IUPAC name is 5-[bromo-(2,3-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[bromo-(2,3-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
PubChem CID63443106
Molecular FormulaC15H9BrCl3NO
Molecular Weight405.51 g/mol
Exact Mass402.89
IUPAC Name5-[bromo-(2,3-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Br)c3cccc(Cl)c3Cl)c(Cl)cc2N1
InChIInChI=1S/C15H9BrCl3NO/c16-14(8-2-1-3-10(17)15(8)19)9-4-7-5-13(21)20-12(7)6-11(9)18/h1-4,6,14H,5H2,(H,20,21)
InChIKeyBDCMCMLVSRDSAS-UHFFFAOYSA-N
XLogP5.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.51
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-5-[chloro-(2,3-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
CID 63434625
5-[bromo-(4-bromo-2-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63442972
5-[bromo-(2,4-difluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 61097394
5-[(2-bromophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one
CID 61082666
6-chloro-5-[chloro-(2,3-difluorophenyl)methyl]-1,3-dihydroindol-2-one
CID 62660055
5-[amino-(2-chloro-6-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457610
5-[bromo-(3-methoxythiophen-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 81124248
6-chloro-5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 81480901
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304
5-[bromo(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 61096793
6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082264
6-chloro-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 61081464

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(2,3-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[bromo-(2,3-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one (CID 63443106) is 5-[bromo-(2,3-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[bromo-(2,3-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[bromo-(2,3-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one is O=C1Cc2cc(C(Br)c3cccc(Cl)c3Cl)c(Cl)cc2N1.
What is the InChIKey of 5-[bromo-(2,3-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is BDCMCMLVSRDSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl3NO/c16-14(8-2-1-3-10(17)15(8)19)9-4-7-5-13(21)20-12(7)6-11(9)18/h1-4,6,14H,5H2,(H,20,21).
What are the key properties of 5-[bromo-(2,3-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
5-[bromo-(2,3-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 405.51 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(2,3-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 63443106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).