2,5-diiodo-N-methylbenzamide

C8H7I2NO — CID 131072416

IUPAC2,5-diiodo-N-methylbenzamide
SMILESCNC(=O)c1cc(I)ccc1I
InChIInChI=1S/C8H7I2NO/c1-11-8(12)6-4-5(9)2-3-7(6)10/h2-4H,1H3,(H,11,12)
InChIKeyYWQSXDNBOQJYGF-UHFFFAOYSA-N
MW386.96 g/mol
LogP2.26
Rot. Bonds1

About 2,5-diiodo-N-methylbenzamide

2,5-diiodo-N-methylbenzamide (PubChem CID 131072416) has the molecular formula C8H7I2NO and a molecular weight of 386.96 g/mol. Its IUPAC name is 2,5-diiodo-N-methylbenzamide.

Molecular Properties

Compound Name2,5-diiodo-N-methylbenzamide
PubChem CID131072416
Molecular FormulaC8H7I2NO
Molecular Weight386.96 g/mol
Exact Mass386.86
IUPAC Name2,5-diiodo-N-methylbenzamide
SMILESCNC(=O)c1cc(I)ccc1I
InChIInChI=1S/C8H7I2NO/c1-11-8(12)6-4-5(9)2-3-7(6)10/h2-4H,1H3,(H,11,12)
InChIKeyYWQSXDNBOQJYGF-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.96
LogP ≤ 52.26
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

2-bromo-4-iodo-N-methylbenzamide
CID 155462102
4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide
CID 150916314
3-iodo-N-methylnaphthalene-2-carboxamide
CID 133056320
5-iodo-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 171920509
N-(4-fluorophenyl)-2,5-diiodobenzamide
CID 46495854
tert-butyl N-[4-iodo-2-(methylcarbamoyl)phenyl]carbamate
CID 176806470
5-iodo-2-(methylcarbamoylamino)benzoic acid
CID 63111629
5-bromo-2-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 103600330
5-(methylcarbamoyl)benzene-1,2,4-tricarboxylic acid
CID 20548798
2-amino-3-bromo-5-iodo-N-methylbenzamide
CID 169154899
2-(N,N'-dimethylcarbamimidoyl)-5-iodobenzoic acid
CID 90930125
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide
CID 122438576

Frequently Asked Questions

What is the IUPAC name of 2,5-diiodo-N-methylbenzamide?
The IUPAC name of 2,5-diiodo-N-methylbenzamide (CID 131072416) is 2,5-diiodo-N-methylbenzamide.
What is the SMILES notation for 2,5-diiodo-N-methylbenzamide?
The canonical SMILES for 2,5-diiodo-N-methylbenzamide is CNC(=O)c1cc(I)ccc1I.
What is the InChIKey of 2,5-diiodo-N-methylbenzamide?
The InChIKey is YWQSXDNBOQJYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7I2NO/c1-11-8(12)6-4-5(9)2-3-7(6)10/h2-4H,1H3,(H,11,12).
What are the key properties of 2,5-diiodo-N-methylbenzamide?
2,5-diiodo-N-methylbenzamide has a molecular weight of 386.96 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diiodo-N-methylbenzamide is sourced from PubChem (CID 131072416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).