N-tert-butyl-4-(125I)iodo(125I)benzamide

C11H14INO — CID 177457231

IUPACN-tert-butyl-4-(125I)iodo(125I)benzamide
SMILESCC(C)(C)NC(=O)c1ccc([125I])cc1
InChIInChI=1S/C11H14INO/c1-11(2,3)13-10(14)8-4-6-9(12)7-5-8/h4-7H,1-3H3,(H,13,14)/i12-2
InChIKeyQQSGMTRWYLZLCO-DACUFJSSSA-N
MW301.14 g/mol
LogP2.82
Rot. Bonds1

About N-tert-butyl-4-(125I)iodo(125I)benzamide

N-tert-butyl-4-(125I)iodo(125I)benzamide (PubChem CID 177457231) has the molecular formula C11H14INO and a molecular weight of 301.14 g/mol. Its IUPAC name is N-tert-butyl-4-(125I)iodo(125I)benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-(125I)iodo(125I)benzamide
PubChem CID177457231
Molecular FormulaC11H14INO
Molecular Weight301.14 g/mol
Exact Mass301.01
IUPAC NameN-tert-butyl-4-(125I)iodo(125I)benzamide
SMILESCC(C)(C)NC(=O)c1ccc([125I])cc1
InChIInChI=1S/C11H14INO/c1-11(2,3)13-10(14)8-4-6-9(12)7-5-8/h4-7H,1-3H3,(H,13,14)/i12-2
InChIKeyQQSGMTRWYLZLCO-DACUFJSSSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
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4-(azepane-1-carbonyl)-N-tert-butylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(125I)iodo(125I)benzamide?
The IUPAC name of N-tert-butyl-4-(125I)iodo(125I)benzamide (CID 177457231) is N-tert-butyl-4-(125I)iodo(125I)benzamide.
What is the SMILES notation for N-tert-butyl-4-(125I)iodo(125I)benzamide?
The canonical SMILES for N-tert-butyl-4-(125I)iodo(125I)benzamide is CC(C)(C)NC(=O)c1ccc([125I])cc1.
What is the InChIKey of N-tert-butyl-4-(125I)iodo(125I)benzamide?
The InChIKey is QQSGMTRWYLZLCO-DACUFJSSSA-N. The full InChI is InChI=1S/C11H14INO/c1-11(2,3)13-10(14)8-4-6-9(12)7-5-8/h4-7H,1-3H3,(H,13,14)/i12-2.
What are the key properties of N-tert-butyl-4-(125I)iodo(125I)benzamide?
N-tert-butyl-4-(125I)iodo(125I)benzamide has a molecular weight of 301.14 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(125I)iodo(125I)benzamide is sourced from PubChem (CID 177457231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).