5-amino-6-(4-iodophenoxy)-1,3-dihydroindol-2-one

C14H11IN2O2 — CID 43451950

IUPAC5-amino-6-(4-iodophenoxy)-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1Oc1ccc(I)cc1)NC(=O)C2
InChIInChI=1S/C14H11IN2O2/c15-9-1-3-10(4-2-9)19-13-7-12-8(5-11(13)16)6-14(18)17-12/h1-5,7H,6,16H2,(H,17,18)
InChIKeyVUQCQELAOLYWQR-UHFFFAOYSA-N
MW366.16 g/mol
LogP3.16
Rot. Bonds2

About 5-amino-6-(4-iodophenoxy)-1,3-dihydroindol-2-one

5-amino-6-(4-iodophenoxy)-1,3-dihydroindol-2-one (PubChem CID 43451950) has the molecular formula C14H11IN2O2 and a molecular weight of 366.16 g/mol. Its IUPAC name is 5-amino-6-(4-iodophenoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(4-iodophenoxy)-1,3-dihydroindol-2-one
PubChem CID43451950
Molecular FormulaC14H11IN2O2
Molecular Weight366.16 g/mol
Exact Mass365.99
IUPAC Name5-amino-6-(4-iodophenoxy)-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1Oc1ccc(I)cc1)NC(=O)C2
InChIInChI=1S/C14H11IN2O2/c15-9-1-3-10(4-2-9)19-13-7-12-8(5-11(13)16)6-14(18)17-12/h1-5,7H,6,16H2,(H,17,18)
InChIKeyVUQCQELAOLYWQR-UHFFFAOYSA-N
XLogP3.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.16
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-(2-bromo-4-methoxyphenoxy)-1,3-dihydroindol-2-one
CID 104706571
6-amino-7-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43455658
6-amino-7-(4-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43455675
6-amino-7-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 63649793
5-amino-6-(2-methoxy-4-methylphenoxy)-1,3-dihydroindol-2-one
CID 43451902
7-amino-6-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43449952
5-amino-6-(2-methylpropoxy)-1,3-dihydroindol-2-one
CID 43451909
7-amino-6-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 63649473
5-amino-6-octoxy-1,3-dihydroindol-2-one
CID 43451940
5-amino-6-(3,5-dimethylcyclohexyl)oxy-1,3-dihydroindol-2-one
CID 64730371
5-amino-6-(cyclopentylmethoxy)-1,3-dihydroindol-2-one
CID 66323000
5-amino-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one
CID 63686702

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-iodophenoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(4-iodophenoxy)-1,3-dihydroindol-2-one (CID 43451950) is 5-amino-6-(4-iodophenoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(4-iodophenoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(4-iodophenoxy)-1,3-dihydroindol-2-one is Nc1cc2c(cc1Oc1ccc(I)cc1)NC(=O)C2.
What is the InChIKey of 5-amino-6-(4-iodophenoxy)-1,3-dihydroindol-2-one?
The InChIKey is VUQCQELAOLYWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O2/c15-9-1-3-10(4-2-9)19-13-7-12-8(5-11(13)16)6-14(18)17-12/h1-5,7H,6,16H2,(H,17,18).
What are the key properties of 5-amino-6-(4-iodophenoxy)-1,3-dihydroindol-2-one?
5-amino-6-(4-iodophenoxy)-1,3-dihydroindol-2-one has a molecular weight of 366.16 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-iodophenoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43451950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).