2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

C11H11IN4O — CID 64511840

IUPAC2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1ccccc1I
InChIInChI=1S/C11H11IN4O/c1-16(6-10-13-7-14-15-10)11(17)8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,13,14,15)
InChIKeyZJSPOHHBARAUHT-UHFFFAOYSA-N
MW342.14 g/mol
LogP1.68
Rot. Bonds3

About 2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (PubChem CID 64511840) has the molecular formula C11H11IN4O and a molecular weight of 342.14 g/mol. Its IUPAC name is 2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
PubChem CID64511840
Molecular FormulaC11H11IN4O
Molecular Weight342.14 g/mol
Exact Mass342.00
IUPAC Name2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1ccccc1I
InChIInChI=1S/C11H11IN4O/c1-16(6-10-13-7-14-15-10)11(17)8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,13,14,15)
InChIKeyZJSPOHHBARAUHT-UHFFFAOYSA-N
XLogP1.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512827
N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64517704
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-4-carboxamide
CID 64512455
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethylsulfanyl)benzamide
CID 64512037
3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide
CID 64518259
2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-4-carboxamide
CID 64518344
6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 64519091
3-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 64950914
3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512231
5-amino-2-(dimethylamino)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512131
N-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-3H-phthalazine-1-carboxamide
CID 64510670
2-fluoro-N-[2-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-2-oxoethyl]benzamide
CID 64510490

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The IUPAC name of 2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (CID 64511840) is 2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The canonical SMILES for 2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is CN(Cc1ncn[nH]1)C(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The InChIKey is ZJSPOHHBARAUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4O/c1-16(6-10-13-7-14-15-10)11(17)8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,13,14,15).
What are the key properties of 2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide has a molecular weight of 342.14 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is sourced from PubChem (CID 64511840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).