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

C17H17IN2O — CID 43485198

IUPAC5-[(2-iodophenyl)-(methylamino)methyl]-1-methyl-3H-indol-2-one
SMILESCNC(c1ccc2c(c1)CC(=O)N2C)c1ccccc1I
InChIInChI=1S/C17H17IN2O/c1-19-17(13-5-3-4-6-14(13)18)11-7-8-15-12(9-11)10-16(21)20(15)2/h3-9,17,19H,10H2,1-2H3
InChIKeyIEWACSPHDVBELI-UHFFFAOYSA-N
MW392.24 g/mol
LogP3.12
Rot. Bonds3

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

5-[(2-iodophenyl)-(methylamino)methyl]-1-methyl-3H-indol-2-one (PubChem CID 43485198) has the molecular formula C17H17IN2O and a molecular weight of 392.24 g/mol. Its IUPAC name is 5-[(2-iodophenyl)-(methylamino)methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[(2-iodophenyl)-(methylamino)methyl]-1-methyl-3H-indol-2-one
PubChem CID43485198
Molecular FormulaC17H17IN2O
Molecular Weight392.24 g/mol
Exact Mass392.04
IUPAC Name5-[(2-iodophenyl)-(methylamino)methyl]-1-methyl-3H-indol-2-one
SMILESCNC(c1ccc2c(c1)CC(=O)N2C)c1ccccc1I
InChIInChI=1S/C17H17IN2O/c1-19-17(13-5-3-4-6-14(13)18)11-7-8-15-12(9-11)10-16(21)20(15)2/h3-9,17,19H,10H2,1-2H3
InChIKeyIEWACSPHDVBELI-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 53.12
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-[amino-(2-iodophenyl)methyl]-1-methyl-3H-indol-2-one
CID 43119567
5-[(2,5-dibromothiophen-3-yl)-(methylamino)methyl]-1-methyl-3H-indol-2-one
CID 107960668
1-methyl-5-[methylamino(thiophen-3-yl)methyl]-3H-indol-2-one
CID 43485165
1-methyl-5-[1-(methylamino)-2-phenylethyl]-3H-indol-2-one
CID 43485221
5-[bromo-(2-chlorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61098949
5-[chloro-(2-fluorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61085194
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-[ethylamino-(5-iodothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one
CID 79691115
5-[(3-chloro-4-iodophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
CID 103210148

Frequently Asked Questions

What is the IUPAC name of 5-[(2-iodophenyl)-(methylamino)methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[(2-iodophenyl)-(methylamino)methyl]-1-methyl-3H-indol-2-one (CID 43485198) is 5-[(2-iodophenyl)-(methylamino)methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[(2-iodophenyl)-(methylamino)methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[(2-iodophenyl)-(methylamino)methyl]-1-methyl-3H-indol-2-one is CNC(c1ccc2c(c1)CC(=O)N2C)c1ccccc1I.
What is the InChIKey of 5-[(2-iodophenyl)-(methylamino)methyl]-1-methyl-3H-indol-2-one?
The InChIKey is IEWACSPHDVBELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O/c1-19-17(13-5-3-4-6-14(13)18)11-7-8-15-12(9-11)10-16(21)20(15)2/h3-9,17,19H,10H2,1-2H3.
What are the key properties of 5-[(2-iodophenyl)-(methylamino)methyl]-1-methyl-3H-indol-2-one?
5-[(2-iodophenyl)-(methylamino)methyl]-1-methyl-3H-indol-2-one has a molecular weight of 392.24 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-iodophenyl)-(methylamino)methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 43485198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).