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

C17H17IN2O — CID 116649897

IUPACN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-iodobenzamide
SMILESNc1ccc2c(c1)CCCC2NC(=O)c1cccc(I)c1
InChIInChI=1S/C17H17IN2O/c18-13-5-1-4-12(9-13)17(21)20-16-6-2-3-11-10-14(19)7-8-15(11)16/h1,4-5,7-10,16H,2-3,6,19H2,(H,20,21)
InChIKeyCRYAUORWRIYDON-UHFFFAOYSA-N
MW392.24 g/mol
LogP3.68
Rot. Bonds2

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

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-iodobenzamide (PubChem CID 116649897) 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)-3-iodobenzamide.

Molecular Properties

Compound NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-iodobenzamide
PubChem CID116649897
Molecular FormulaC17H17IN2O
Molecular Weight392.24 g/mol
Exact Mass392.04
IUPAC NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-iodobenzamide
SMILESNc1ccc2c(c1)CCCC2NC(=O)c1cccc(I)c1
InChIInChI=1S/C17H17IN2O/c18-13-5-1-4-12(9-13)17(21)20-16-6-2-3-11-10-14(19)7-8-15(11)16/h1,4-5,7-10,16H,2-3,6,19H2,(H,20,21)
InChIKeyCRYAUORWRIYDON-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)-2-iodobenzamide
CID 116649772
4-(aminomethyl)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 122081059
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide
CID 116649879
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromopyridine-3-carboxamide
CID 116649702
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-iodobenzamide
CID 103209666
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide
CID 79741651
3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea
CID 116650161
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide
CID 79740821
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dimethylthiophene-2-carboxamide
CID 116649780
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
3-(aminomethyl)-N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 124854722

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-iodobenzamide?
The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-iodobenzamide (CID 116649897) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-iodobenzamide.
What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-iodobenzamide?
The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-iodobenzamide is Nc1ccc2c(c1)CCCC2NC(=O)c1cccc(I)c1.
What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-iodobenzamide?
The InChIKey is CRYAUORWRIYDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O/c18-13-5-1-4-12(9-13)17(21)20-16-6-2-3-11-10-14(19)7-8-15(11)16/h1,4-5,7-10,16H,2-3,6,19H2,(H,20,21).
What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-iodobenzamide?
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-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)-3-iodobenzamide is sourced from PubChem (CID 116649897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).