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

C15H11ClINO — CID 61086610

IUPAC5-[chloro-(2-iodophenyl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Cl)c3ccccc3I)ccc2N1
InChIInChI=1S/C15H11ClINO/c16-15(11-3-1-2-4-12(11)17)9-5-6-13-10(7-9)8-14(19)18-13/h1-7,15H,8H2,(H,18,19)
InChIKeyUTALMXQLMQXLDU-UHFFFAOYSA-N
MW383.62 g/mol
LogP4.11
Rot. Bonds2

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

5-[chloro-(2-iodophenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 61086610) has the molecular formula C15H11ClINO and a molecular weight of 383.62 g/mol. Its IUPAC name is 5-[chloro-(2-iodophenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[chloro-(2-iodophenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID61086610
Molecular FormulaC15H11ClINO
Molecular Weight383.62 g/mol
Exact Mass382.96
IUPAC Name5-[chloro-(2-iodophenyl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Cl)c3ccccc3I)ccc2N1
InChIInChI=1S/C15H11ClINO/c16-15(11-3-1-2-4-12(11)17)9-5-6-13-10(7-9)8-14(19)18-13/h1-7,15H,8H2,(H,18,19)
InChIKeyUTALMXQLMQXLDU-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.62
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[chloro-(2-iodophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010538
5-[chloro-(2-iodophenyl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 80500038
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-[(2-bromo-5-methylphenyl)-chloromethyl]-1,3-dihydroindol-2-one
CID 81111417
5-[(5-bromo-2-fluorophenyl)-chloromethyl]-1,3-dihydroindol-2-one
CID 61084977
5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61084779
5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one
CID 61083581
6-[(2-bromophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
CID 61086600
5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 63210169
5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one
CID 43197937
5-[chloro-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
CID 61083783
7-[bromo-(2-iodophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61096575

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(2-iodophenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[chloro-(2-iodophenyl)methyl]-1,3-dihydroindol-2-one (CID 61086610) is 5-[chloro-(2-iodophenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[chloro-(2-iodophenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[chloro-(2-iodophenyl)methyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(Cl)c3ccccc3I)ccc2N1.
What is the InChIKey of 5-[chloro-(2-iodophenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is UTALMXQLMQXLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClINO/c16-15(11-3-1-2-4-12(11)17)9-5-6-13-10(7-9)8-14(19)18-13/h1-7,15H,8H2,(H,18,19).
What are the key properties of 5-[chloro-(2-iodophenyl)methyl]-1,3-dihydroindol-2-one?
5-[chloro-(2-iodophenyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 383.62 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(2-iodophenyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 61086610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).