N-(2-indol-1-ylethyl)-2-iodobenzamide

C17H15IN2O — CID 3247556

IUPACN-(2-indol-1-ylethyl)-2-iodobenzamide
SMILESO=C(NCCn1ccc2ccccc21)c1ccccc1I
InChIInChI=1S/C17H15IN2O/c18-15-7-3-2-6-14(15)17(21)19-10-12-20-11-9-13-5-1-4-8-16(13)20/h1-9,11H,10,12H2,(H,19,21)
InChIKeyPUBXPDWNVGUBJI-UHFFFAOYSA-N
MW390.22 g/mol
LogP3.68
Rot. Bonds4

About N-(2-indol-1-ylethyl)-2-iodobenzamide

N-(2-indol-1-ylethyl)-2-iodobenzamide (PubChem CID 3247556) has the molecular formula C17H15IN2O and a molecular weight of 390.22 g/mol. Its IUPAC name is N-(2-indol-1-ylethyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(2-indol-1-ylethyl)-2-iodobenzamide
PubChem CID3247556
Molecular FormulaC17H15IN2O
Molecular Weight390.22 g/mol
Exact Mass390.02
IUPAC NameN-(2-indol-1-ylethyl)-2-iodobenzamide
SMILESO=C(NCCn1ccc2ccccc21)c1ccccc1I
InChIInChI=1S/C17H15IN2O/c18-15-7-3-2-6-14(15)17(21)19-10-12-20-11-9-13-5-1-4-8-16(13)20/h1-9,11H,10,12H2,(H,19,21)
InChIKeyPUBXPDWNVGUBJI-UHFFFAOYSA-N
XLogP3.68
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.22
LogP ≤ 53.68
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

N-(2-indol-1-ylethyl)-4-phenylbenzamide
CID 4251768
N-(2-indol-1-ylethyl)-2,6-dimethoxybenzamide
CID 110732644
N-(2-indol-1-ylethyl)-2-(5-methyltetrazol-1-yl)benzamide
CID 56762296
2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide
CID 108750477
N-[2-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 30689470
4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide
CID 22237561
(E)-N-(2-indol-1-ylethyl)but-2-enamide
CID 108750473
1,1-diethyl-3-(2-indol-1-ylethyl)urea
CID 108726423
1-benzyl-3-(2-indol-1-ylethyl)urea
CID 110748972
2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide
CID 25355760
N-(2-indol-1-ylethyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 71705958
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161

Frequently Asked Questions

What is the IUPAC name of N-(2-indol-1-ylethyl)-2-iodobenzamide?
The IUPAC name of N-(2-indol-1-ylethyl)-2-iodobenzamide (CID 3247556) is N-(2-indol-1-ylethyl)-2-iodobenzamide.
What is the SMILES notation for N-(2-indol-1-ylethyl)-2-iodobenzamide?
The canonical SMILES for N-(2-indol-1-ylethyl)-2-iodobenzamide is O=C(NCCn1ccc2ccccc21)c1ccccc1I.
What is the InChIKey of N-(2-indol-1-ylethyl)-2-iodobenzamide?
The InChIKey is PUBXPDWNVGUBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2O/c18-15-7-3-2-6-14(15)17(21)19-10-12-20-11-9-13-5-1-4-8-16(13)20/h1-9,11H,10,12H2,(H,19,21).
What are the key properties of N-(2-indol-1-ylethyl)-2-iodobenzamide?
N-(2-indol-1-ylethyl)-2-iodobenzamide has a molecular weight of 390.22 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-indol-1-ylethyl)-2-iodobenzamide is sourced from PubChem (CID 3247556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).