2,3-difluoro-5-iodobenzamide

C7H4F2INO — CID 121345074

IUPAC2,3-difluoro-5-iodobenzamide
SMILESNC(=O)c1cc(I)cc(F)c1F
InChIInChI=1S/C7H4F2INO/c8-5-2-3(10)1-4(6(5)9)7(11)12/h1-2H,(H2,11,12)
InChIKeyGDGYBCWQIXFQGI-UHFFFAOYSA-N
MW283.01 g/mol
LogP1.67
Rot. Bonds1

About 2,3-difluoro-5-iodobenzamide

2,3-difluoro-5-iodobenzamide (PubChem CID 121345074) has the molecular formula C7H4F2INO and a molecular weight of 283.01 g/mol. Its IUPAC name is 2,3-difluoro-5-iodobenzamide.

Molecular Properties

Compound Name2,3-difluoro-5-iodobenzamide
PubChem CID121345074
Molecular FormulaC7H4F2INO
Molecular Weight283.01 g/mol
Exact Mass282.93
IUPAC Name2,3-difluoro-5-iodobenzamide
SMILESNC(=O)c1cc(I)cc(F)c1F
InChIInChI=1S/C7H4F2INO/c8-5-2-3(10)1-4(6(5)9)7(11)12/h1-2H,(H2,11,12)
InChIKeyGDGYBCWQIXFQGI-UHFFFAOYSA-N
XLogP1.67
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.01
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-cyano-2,3-difluorobenzamide
CID 131008452
2,3,5-trifluorobenzene-1,4-dicarboxamide
CID 87161201
3-hydroxy-2,5-diiodobenzamide
CID 119020425
3,4,5-trifluoro-2-methylbenzamide
CID 87559978
(2,6-difluoro-4-iodophenyl) carbamate
CID 175005492
2-bromo-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide
CID 58431460
2,4,5-trifluoro-3-(fluoromethoxy)benzamide
CID 86588500
1-(2-bromo-3-fluoro-5-iodophenyl)ethanone
CID 131354820
5-bromo-2-fluoro-4-iodobenzamide
CID 164523655
4-fluoro-2,5-dimethylbenzamide
CID 119025196
4-ethanimidoyl-2-fluoro-5-(methylamino)benzamide
CID 174256186
2,4-dibromo-3,5-difluorobenzamide
CID 119007128

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-iodobenzamide?
The IUPAC name of 2,3-difluoro-5-iodobenzamide (CID 121345074) is 2,3-difluoro-5-iodobenzamide.
What is the SMILES notation for 2,3-difluoro-5-iodobenzamide?
The canonical SMILES for 2,3-difluoro-5-iodobenzamide is NC(=O)c1cc(I)cc(F)c1F.
What is the InChIKey of 2,3-difluoro-5-iodobenzamide?
The InChIKey is GDGYBCWQIXFQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2INO/c8-5-2-3(10)1-4(6(5)9)7(11)12/h1-2H,(H2,11,12).
What are the key properties of 2,3-difluoro-5-iodobenzamide?
2,3-difluoro-5-iodobenzamide has a molecular weight of 283.01 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-iodobenzamide is sourced from PubChem (CID 121345074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).