2-[5-(iodomethyl)-1H-indol-3-yl]-2-oxo-N-phenylacetamide

C17H13IN2O2 — CID 89369412

IUPAC2-[5-(iodomethyl)-1H-indol-3-yl]-2-oxo-N-phenylacetamide
SMILESO=C(Nc1ccccc1)C(=O)c1c[nH]c2ccc(CI)cc12
InChIInChI=1S/C17H13IN2O2/c18-9-11-6-7-15-13(8-11)14(10-19-15)16(21)17(22)20-12-4-2-1-3-5-12/h1-8,10,19H,9H2,(H,20,22)
InChIKeyYHFAJLAKCGZZFD-UHFFFAOYSA-N
MW404.21 g/mol
LogP3.92
Rot. Bonds4

About 2-[5-(iodomethyl)-1H-indol-3-yl]-2-oxo-N-phenylacetamide

2-[5-(iodomethyl)-1H-indol-3-yl]-2-oxo-N-phenylacetamide (PubChem CID 89369412) has the molecular formula C17H13IN2O2 and a molecular weight of 404.21 g/mol. Its IUPAC name is 2-[5-(iodomethyl)-1H-indol-3-yl]-2-oxo-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-(iodomethyl)-1H-indol-3-yl]-2-oxo-N-phenylacetamide
PubChem CID89369412
Molecular FormulaC17H13IN2O2
Molecular Weight404.21 g/mol
Exact Mass404.00
IUPAC Name2-[5-(iodomethyl)-1H-indol-3-yl]-2-oxo-N-phenylacetamide
SMILESO=C(Nc1ccccc1)C(=O)c1c[nH]c2ccc(CI)cc12
InChIInChI=1S/C17H13IN2O2/c18-9-11-6-7-15-13(8-11)14(10-19-15)16(21)17(22)20-12-4-2-1-3-5-12/h1-8,10,19H,9H2,(H,20,22)
InChIKeyYHFAJLAKCGZZFD-UHFFFAOYSA-N
XLogP3.92
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.21
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-fluoro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 113208101
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 54771139
5-amino-N-phenyl-1H-indole-3-carboxamide
CID 63116510
N-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 27161298
2-(5-chloro-1H-indol-3-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 113208305
2-(6-chloro-1H-indol-3-yl)-N-(3-chlorophenyl)-2-oxoacetamide
CID 113208837
N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208378
N-(2-ethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208450
6-chloro-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 17016504
2-(5-methoxy-1H-indol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 113208438
N-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide
CID 61221955
2-(2-chlorophenyl)-2-oxo-N-phenylacetamide
CID 123578791

Frequently Asked Questions

What is the IUPAC name of 2-[5-(iodomethyl)-1H-indol-3-yl]-2-oxo-N-phenylacetamide?
The IUPAC name of 2-[5-(iodomethyl)-1H-indol-3-yl]-2-oxo-N-phenylacetamide (CID 89369412) is 2-[5-(iodomethyl)-1H-indol-3-yl]-2-oxo-N-phenylacetamide.
What is the SMILES notation for 2-[5-(iodomethyl)-1H-indol-3-yl]-2-oxo-N-phenylacetamide?
The canonical SMILES for 2-[5-(iodomethyl)-1H-indol-3-yl]-2-oxo-N-phenylacetamide is O=C(Nc1ccccc1)C(=O)c1c[nH]c2ccc(CI)cc12.
What is the InChIKey of 2-[5-(iodomethyl)-1H-indol-3-yl]-2-oxo-N-phenylacetamide?
The InChIKey is YHFAJLAKCGZZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13IN2O2/c18-9-11-6-7-15-13(8-11)14(10-19-15)16(21)17(22)20-12-4-2-1-3-5-12/h1-8,10,19H,9H2,(H,20,22).
What are the key properties of 2-[5-(iodomethyl)-1H-indol-3-yl]-2-oxo-N-phenylacetamide?
2-[5-(iodomethyl)-1H-indol-3-yl]-2-oxo-N-phenylacetamide has a molecular weight of 404.21 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(iodomethyl)-1H-indol-3-yl]-2-oxo-N-phenylacetamide is sourced from PubChem (CID 89369412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).