N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodobenzamide

C17H17IN2O — CID 116649772

IUPACN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodobenzamide
SMILESNc1ccc2c(c1)CCCC2NC(=O)c1ccccc1I
InChIInChI=1S/C17H17IN2O/c18-15-6-2-1-5-14(15)17(21)20-16-7-3-4-11-10-12(19)8-9-13(11)16/h1-2,5-6,8-10,16H,3-4,7,19H2,(H,20,21)
InChIKeyLNKJFYCUPIESKY-UHFFFAOYSA-N
MW392.24 g/mol
LogP3.68
Rot. Bonds2

About N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodobenzamide

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodobenzamide (PubChem CID 116649772) has the molecular formula C17H17IN2O and a molecular weight of 392.24 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodobenzamide
PubChem CID116649772
Molecular FormulaC17H17IN2O
Molecular Weight392.24 g/mol
Exact Mass392.04
IUPAC NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodobenzamide
SMILESNc1ccc2c(c1)CCCC2NC(=O)c1ccccc1I
InChIInChI=1S/C17H17IN2O/c18-15-6-2-1-5-14(15)17(21)20-16-7-3-4-11-10-12(19)8-9-13(11)16/h1-2,5-6,8-10,16H,3-4,7,19H2,(H,20,21)
InChIKeyLNKJFYCUPIESKY-UHFFFAOYSA-N
XLogP3.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-iodobenzamide
CID 116649897
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide
CID 116649879
5-amino-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 62304912
4-(aminomethyl)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 122081059
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide
CID 81266310
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-chloro-1H-pyrrole-2-carboxamide
CID 116649798
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-bromo-1H-pyrrole-2-carboxamide
CID 116649902
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-2-methylbenzamide
CID 79722653
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 79723212
3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea
CID 116650161
2-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 60682216
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dimethylthiophene-2-carboxamide
CID 116649780

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodobenzamide?
The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodobenzamide (CID 116649772) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodobenzamide.
What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodobenzamide?
The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodobenzamide is Nc1ccc2c(c1)CCCC2NC(=O)c1ccccc1I.
What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodobenzamide?
The InChIKey is LNKJFYCUPIESKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O/c18-15-6-2-1-5-14(15)17(21)20-16-7-3-4-11-10-12(19)8-9-13(11)16/h1-2,5-6,8-10,16H,3-4,7,19H2,(H,20,21).
What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodobenzamide?
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodobenzamide has a molecular weight of 392.24 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodobenzamide is sourced from PubChem (CID 116649772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).