N-(2-iodophenyl)-N-methyl-2-(1-methylindol-3-yl)acetamide

C18H17IN2O — CID 134971385

IUPACN-(2-iodophenyl)-N-methyl-2-(1-methylindol-3-yl)acetamide
SMILESCN(C(=O)Cc1cn(C)c2ccccc12)c1ccccc1I
InChIInChI=1S/C18H17IN2O/c1-20-12-13(14-7-3-5-9-16(14)20)11-18(22)21(2)17-10-6-4-8-15(17)19/h3-10,12H,11H2,1-2H3
InChIKeyNJVKXJWOSHJLMT-UHFFFAOYSA-N
MW404.25 g/mol
LogP3.99
Rot. Bonds3

About N-(2-iodophenyl)-N-methyl-2-(1-methylindol-3-yl)acetamide

N-(2-iodophenyl)-N-methyl-2-(1-methylindol-3-yl)acetamide (PubChem CID 134971385) has the molecular formula C18H17IN2O and a molecular weight of 404.25 g/mol. Its IUPAC name is N-(2-iodophenyl)-N-methyl-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-N-methyl-2-(1-methylindol-3-yl)acetamide
PubChem CID134971385
Molecular FormulaC18H17IN2O
Molecular Weight404.25 g/mol
Exact Mass404.04
IUPAC NameN-(2-iodophenyl)-N-methyl-2-(1-methylindol-3-yl)acetamide
SMILESCN(C(=O)Cc1cn(C)c2ccccc12)c1ccccc1I
InChIInChI=1S/C18H17IN2O/c1-20-12-13(14-7-3-5-9-16(14)20)11-18(22)21(2)17-10-6-4-8-15(17)19/h3-10,12H,11H2,1-2H3
InChIKeyNJVKXJWOSHJLMT-UHFFFAOYSA-N
XLogP3.99
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.25
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-N-methyl-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-(2-iodophenyl)-N-methyl-2-(1-methylindol-3-yl)acetamide (CID 134971385) is N-(2-iodophenyl)-N-methyl-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-(2-iodophenyl)-N-methyl-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-(2-iodophenyl)-N-methyl-2-(1-methylindol-3-yl)acetamide is CN(C(=O)Cc1cn(C)c2ccccc12)c1ccccc1I.
What is the InChIKey of N-(2-iodophenyl)-N-methyl-2-(1-methylindol-3-yl)acetamide?
The InChIKey is NJVKXJWOSHJLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17IN2O/c1-20-12-13(14-7-3-5-9-16(14)20)11-18(22)21(2)17-10-6-4-8-15(17)19/h3-10,12H,11H2,1-2H3.
What are the key properties of N-(2-iodophenyl)-N-methyl-2-(1-methylindol-3-yl)acetamide?
N-(2-iodophenyl)-N-methyl-2-(1-methylindol-3-yl)acetamide has a molecular weight of 404.25 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-N-methyl-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 134971385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).