2-Iodo-N-(2-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)benzene-1-carboximidic acid

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Basic information

CAS: 37481-44-0
Standard SMILES: CN1CCc2c(cccc2NC(=O)c2ccccc2I)C1
InChIKey: NSUOXMUGKJHURE-UHFFFAOYSA-N
Molecular formula: C17H17IN2O
Average molar mass: 392.23 g/mol
Monoisotopic mass: 392.03856

Names & identifiers

Preferred name: 2-Iodo-N-(2-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)benzene-1-carboximidic acid
IUPAC: 2-iodo-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
English name: 2-Iodo-N-(1,2,3,4-tetrahydro-2-methylisoquinolin-5-yl)-benzamide
Molecular weight: 0

Names & synonyms

37481-44-0DTXSID609585782-Iodo-N-(2-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)benzene-1-carboximidic acidRefChem:1063526DTXCID001386481BRN 0492423Isoquinoline, 1,2,3,4-tetrahydro-5-(2-iodobenzamido)-2-methyl-SCHEMBL11733971NSUOXMUGKJHURE-UHFFFAOYSA-N5-(2-iodobenzamido)-2-methyl-1,2,3,4-tetrahydroisoquinoline2-Iodo-N-(1,2,3,4-tetrahydro-2-methylisoquinolin-5-yl)benzamideBenzamide, 2-iodo-N-(1,2,3,4-tetrahydro-2-methylisoquinolin-5-yl)-

Show more names

2-Iodo-N-(1,2,3,4-tetrahydro-2-methylisoquinolin-5-yl)-benzamide

Database identifiers

CAS: 37481-44-0
PubChem CID: 216600
DTXSID: DTXSID60958578
Nikkaji: J54.797B

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 376

Related reactions

2 records

New reaction record

HRID 1574310As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2397946As productuspto-grants-1977_05

Compound notes

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