3-[(2-bromophenyl)methyliminomethyl]-1,3-dihydroindol-2-one

C16H13BrN2O — CID 7059823

IUPAC3-[(2-bromophenyl)methyliminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1/C=N/Cc1ccccc1Br
InChIInChI=1S/C16H13BrN2O/c17-14-7-3-1-5-11(14)9-18-10-13-12-6-2-4-8-15(12)19-16(13)20/h1-8,10,13H,9H2,(H,19,20)/b18-10+
InChIKeyUOHLVRZTYAKRDO-VCHYOVAHSA-N
MW329.20 g/mol
LogP3.76
Rot. Bonds3

About 3-[(2-bromophenyl)methyliminomethyl]-1,3-dihydroindol-2-one

3-[(2-bromophenyl)methyliminomethyl]-1,3-dihydroindol-2-one (PubChem CID 7059823) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyliminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyliminomethyl]-1,3-dihydroindol-2-one
PubChem CID7059823
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name3-[(2-bromophenyl)methyliminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1/C=N/Cc1ccccc1Br
InChIInChI=1S/C16H13BrN2O/c17-14-7-3-1-5-11(14)9-18-10-13-12-6-2-4-8-15(12)19-16(13)20/h1-8,10,13H,9H2,(H,19,20)/b18-10+
InChIKeyUOHLVRZTYAKRDO-VCHYOVAHSA-N
XLogP3.76
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyliminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[(2-bromophenyl)methyliminomethyl]-1,3-dihydroindol-2-one (CID 7059823) is 3-[(2-bromophenyl)methyliminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[(2-bromophenyl)methyliminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[(2-bromophenyl)methyliminomethyl]-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1/C=N/Cc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)methyliminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is UOHLVRZTYAKRDO-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H13BrN2O/c17-14-7-3-1-5-11(14)9-18-10-13-12-6-2-4-8-15(12)19-16(13)20/h1-8,10,13H,9H2,(H,19,20)/b18-10+.
What are the key properties of 3-[(2-bromophenyl)methyliminomethyl]-1,3-dihydroindol-2-one?
3-[(2-bromophenyl)methyliminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 329.20 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyliminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 7059823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).