5-bromo-3-(4-iodoanilino)-1,3-dihydroindol-2-one

C14H10BrIN2O — CID 43124419

IUPAC5-bromo-3-(4-iodoanilino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1Nc1ccc(I)cc1
InChIInChI=1S/C14H10BrIN2O/c15-8-1-6-12-11(7-8)13(14(19)18-12)17-10-4-2-9(16)3-5-10/h1-7,13,17H,(H,18,19)
InChIKeyFCMOQFJFUBONAH-UHFFFAOYSA-N
MW429.06 g/mol
LogP4.16
Rot. Bonds2

About 5-bromo-3-(4-iodoanilino)-1,3-dihydroindol-2-one

5-bromo-3-(4-iodoanilino)-1,3-dihydroindol-2-one (PubChem CID 43124419) has the molecular formula C14H10BrIN2O and a molecular weight of 429.06 g/mol. Its IUPAC name is 5-bromo-3-(4-iodoanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(4-iodoanilino)-1,3-dihydroindol-2-one
PubChem CID43124419
Molecular FormulaC14H10BrIN2O
Molecular Weight429.06 g/mol
Exact Mass427.90
IUPAC Name5-bromo-3-(4-iodoanilino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1Nc1ccc(I)cc1
InChIInChI=1S/C14H10BrIN2O/c15-8-1-6-12-11(7-8)13(14(19)18-12)17-10-4-2-9(16)3-5-10/h1-7,13,17H,(H,18,19)
InChIKeyFCMOQFJFUBONAH-UHFFFAOYSA-N
XLogP4.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.06
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124316
5-bromo-3-(4-nitroanilino)-1,3-dihydroindol-2-one
CID 43719812
6-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124339
3-anilino-6-bromo-1,3-dihydroindol-2-one
CID 43190041
6-bromo-3-[4-(dimethylamino)anilino]-1,3-dihydroindol-2-one
CID 43616930
6-bromo-3-(3,5-dimethylanilino)-1,3-dihydroindol-2-one
CID 43195433
5-bromo-3-(prop-2-enylamino)-1,3-dihydroindol-2-one
CID 43189550
3-(5-bromo-2-fluoroanilino)-5-chloro-1,3-dihydroindol-2-one
CID 43555314
6-bromo-3-(3,4-dichloroanilino)-1,3-dihydroindol-2-one
CID 43109568
5-bromo-3-(cyclohexylamino)-1,3-dihydroindol-2-one
CID 43189941
3-(4-bromo-2-chloroanilino)-5-chloro-1,3-dihydroindol-2-one
CID 43347233
5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43190207

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-iodoanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(4-iodoanilino)-1,3-dihydroindol-2-one (CID 43124419) is 5-bromo-3-(4-iodoanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(4-iodoanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(4-iodoanilino)-1,3-dihydroindol-2-one is O=C1Nc2ccc(Br)cc2C1Nc1ccc(I)cc1.
What is the InChIKey of 5-bromo-3-(4-iodoanilino)-1,3-dihydroindol-2-one?
The InChIKey is FCMOQFJFUBONAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrIN2O/c15-8-1-6-12-11(7-8)13(14(19)18-12)17-10-4-2-9(16)3-5-10/h1-7,13,17H,(H,18,19).
What are the key properties of 5-bromo-3-(4-iodoanilino)-1,3-dihydroindol-2-one?
5-bromo-3-(4-iodoanilino)-1,3-dihydroindol-2-one has a molecular weight of 429.06 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-iodoanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43124419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).