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

C15H9Cl4NO — CID 63434625

IUPAC6-chloro-5-[chloro-(2,3-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Cl)c3cccc(Cl)c3Cl)c(Cl)cc2N1
InChIInChI=1S/C15H9Cl4NO/c16-10-3-1-2-8(15(10)19)14(18)9-4-7-5-13(21)20-12(7)6-11(9)17/h1-4,6,14H,5H2,(H,20,21)
InChIKeyYSRSQASLACFMTB-UHFFFAOYSA-N
MW361.06 g/mol
LogP5.47
Rot. Bonds2

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

6-chloro-5-[chloro-(2,3-dichlorophenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 63434625) has the molecular formula C15H9Cl4NO and a molecular weight of 361.06 g/mol. Its IUPAC name is 6-chloro-5-[chloro-(2,3-dichlorophenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[chloro-(2,3-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID63434625
Molecular FormulaC15H9Cl4NO
Molecular Weight361.06 g/mol
Exact Mass358.94
IUPAC Name6-chloro-5-[chloro-(2,3-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Cl)c3cccc(Cl)c3Cl)c(Cl)cc2N1
InChIInChI=1S/C15H9Cl4NO/c16-10-3-1-2-8(15(10)19)14(18)9-4-7-5-13(21)20-12(7)6-11(9)17/h1-4,6,14H,5H2,(H,20,21)
InChIKeyYSRSQASLACFMTB-UHFFFAOYSA-N
XLogP5.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.06
LogP ≤ 55.47
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

5-[bromo-(2,3-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63443106
6-chloro-5-[chloro-(2,3-difluorophenyl)methyl]-1,3-dihydroindol-2-one
CID 62660055
5-[(3-bromothiophen-2-yl)-chloromethyl]-6-chloro-1,3-dihydroindol-2-one
CID 63797669
5-[amino-(2-chloro-6-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457610
5-[(2-bromophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one
CID 61082666
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
6-chloro-5-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-dihydroindol-2-one
CID 61084652
6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one
CID 61083849
6-chloro-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 61081464
5-[bromo-(4-bromo-2-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63442972
6-chloro-5-[chloro(cyclohexyl)methyl]-1,3-dihydroindol-2-one
CID 61084046

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[chloro-(2,3-dichlorophenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[chloro-(2,3-dichlorophenyl)methyl]-1,3-dihydroindol-2-one (CID 63434625) is 6-chloro-5-[chloro-(2,3-dichlorophenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[chloro-(2,3-dichlorophenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[chloro-(2,3-dichlorophenyl)methyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(Cl)c3cccc(Cl)c3Cl)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-[chloro-(2,3-dichlorophenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is YSRSQASLACFMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl4NO/c16-10-3-1-2-8(15(10)19)14(18)9-4-7-5-13(21)20-12(7)6-11(9)17/h1-4,6,14H,5H2,(H,20,21).
What are the key properties of 6-chloro-5-[chloro-(2,3-dichlorophenyl)methyl]-1,3-dihydroindol-2-one?
6-chloro-5-[chloro-(2,3-dichlorophenyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 361.06 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[chloro-(2,3-dichlorophenyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 63434625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).