N-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide

C17H15IN2O — CID 26581665

IUPACN-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)Nc3ccccc3I)cc2c1C
InChIInChI=1S/C17H15IN2O/c1-10-11(2)19-15-8-7-12(9-13(10)15)17(21)20-16-6-4-3-5-14(16)18/h3-9,19H,1-2H3,(H,20,21)
InChIKeyABYJCJCDBHYVQH-UHFFFAOYSA-N
MW390.22 g/mol
LogP4.64
Rot. Bonds2

About N-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide

N-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 26581665) has the molecular formula C17H15IN2O and a molecular weight of 390.22 g/mol. Its IUPAC name is N-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID26581665
Molecular FormulaC17H15IN2O
Molecular Weight390.22 g/mol
Exact Mass390.02
IUPAC NameN-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)Nc3ccccc3I)cc2c1C
InChIInChI=1S/C17H15IN2O/c1-10-11(2)19-15-8-7-12(9-13(10)15)17(21)20-16-6-4-3-5-14(16)18/h3-9,19H,1-2H3,(H,20,21)
InChIKeyABYJCJCDBHYVQH-UHFFFAOYSA-N
XLogP4.64
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.22
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 4785719
2,3-dimethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1H-indole-5-carboxamide
CID 46434037
2,3-dimethyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1H-indole-5-carboxamide
CID 55736357
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 43073972
2,3-dimethyl-N-(2-prop-2-enylsulfanylphenyl)-1H-indole-5-carboxamide
CID 46636880
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 23474767
3-hydroxy-N-(2-iodophenyl)-4-methylbenzamide
CID 28881825
N-(3-fluorophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 26579048
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]benzoic acid
CID 23474692
N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide
CID 78911937
N-(2-amino-2-methylpropyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 115303315
2,3-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)-1H-indole-5-carboxamide
CID 115630320

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide (CID 26581665) is N-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)Nc3ccccc3I)cc2c1C.
What is the InChIKey of N-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is ABYJCJCDBHYVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2O/c1-10-11(2)19-15-8-7-12(9-13(10)15)17(21)20-16-6-4-3-5-14(16)18/h3-9,19H,1-2H3,(H,20,21).
What are the key properties of N-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide?
N-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 390.22 g/mol, XLogP of 4.64, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 26581665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).