5-[amino-(2-iodophenyl)methyl]-1-methyl-3H-indol-2-one

C16H15IN2O — CID 43119567

IUPAC5-[amino-(2-iodophenyl)methyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(N)c3ccccc3I)ccc21
InChIInChI=1S/C16H15IN2O/c1-19-14-7-6-10(8-11(14)9-15(19)20)16(18)12-4-2-3-5-13(12)17/h2-8,16H,9,18H2,1H3
InChIKeyUXSIFJLIUQYFAW-UHFFFAOYSA-N
MW378.21 g/mol
LogP2.86
Rot. Bonds2

About 5-[amino-(2-iodophenyl)methyl]-1-methyl-3H-indol-2-one

5-[amino-(2-iodophenyl)methyl]-1-methyl-3H-indol-2-one (PubChem CID 43119567) has the molecular formula C16H15IN2O and a molecular weight of 378.21 g/mol. Its IUPAC name is 5-[amino-(2-iodophenyl)methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[amino-(2-iodophenyl)methyl]-1-methyl-3H-indol-2-one
PubChem CID43119567
Molecular FormulaC16H15IN2O
Molecular Weight378.21 g/mol
Exact Mass378.02
IUPAC Name5-[amino-(2-iodophenyl)methyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(N)c3ccccc3I)ccc21
InChIInChI=1S/C16H15IN2O/c1-19-14-7-6-10(8-11(14)9-15(19)20)16(18)12-4-2-3-5-13(12)17/h2-8,16H,9,18H2,1H3
InChIKeyUXSIFJLIUQYFAW-UHFFFAOYSA-N
XLogP2.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-iodophenyl)-(methylamino)methyl]-1-methyl-3H-indol-2-one
CID 43485198
5-[amino-(3,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one
CID 43119586
5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 116932622
5-[chloro-(2-fluorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61085194
5-[bromo-(2-chlorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61098949
2-amino-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 116850751
5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116859553
5-[bromo-(3-iodophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61096337
5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one
CID 116932459
5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338
5-(1-chloroethyl)-1-methyl-3H-indol-2-one
CID 61084186
5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one
CID 43119574

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(2-iodophenyl)methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[amino-(2-iodophenyl)methyl]-1-methyl-3H-indol-2-one (CID 43119567) is 5-[amino-(2-iodophenyl)methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[amino-(2-iodophenyl)methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[amino-(2-iodophenyl)methyl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(N)c3ccccc3I)ccc21.
What is the InChIKey of 5-[amino-(2-iodophenyl)methyl]-1-methyl-3H-indol-2-one?
The InChIKey is UXSIFJLIUQYFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O/c1-19-14-7-6-10(8-11(14)9-15(19)20)16(18)12-4-2-3-5-13(12)17/h2-8,16H,9,18H2,1H3.
What are the key properties of 5-[amino-(2-iodophenyl)methyl]-1-methyl-3H-indol-2-one?
5-[amino-(2-iodophenyl)methyl]-1-methyl-3H-indol-2-one has a molecular weight of 378.21 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(2-iodophenyl)methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 43119567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).