3-cyano-5-fluoro-2-iodobenzamide

C8H4FIN2O — CID 171021829

IUPAC3-cyano-5-fluoro-2-iodobenzamide
SMILESN#Cc1cc(F)cc(C(N)=O)c1I
InChIInChI=1S/C8H4FIN2O/c9-5-1-4(3-11)7(10)6(2-5)8(12)13/h1-2H,(H2,12,13)
InChIKeyKKRMUKIKGYRXMG-UHFFFAOYSA-N
MW290.04 g/mol
LogP1.40
Rot. Bonds1

About 3-cyano-5-fluoro-2-iodobenzamide

3-cyano-5-fluoro-2-iodobenzamide (PubChem CID 171021829) has the molecular formula C8H4FIN2O and a molecular weight of 290.04 g/mol. Its IUPAC name is 3-cyano-5-fluoro-2-iodobenzamide.

Molecular Properties

Compound Name3-cyano-5-fluoro-2-iodobenzamide
PubChem CID171021829
Molecular FormulaC8H4FIN2O
Molecular Weight290.04 g/mol
Exact Mass289.94
IUPAC Name3-cyano-5-fluoro-2-iodobenzamide
SMILESN#Cc1cc(F)cc(C(N)=O)c1I
InChIInChI=1S/C8H4FIN2O/c9-5-1-4(3-11)7(10)6(2-5)8(12)13/h1-2H,(H2,12,13)
InChIKeyKKRMUKIKGYRXMG-UHFFFAOYSA-N
XLogP1.40
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.04
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyano-5-fluoro-2-(trifluoromethyl)benzamide
CID 171031115
4-cyano-5-iodo-2-(trifluoromethyl)benzamide
CID 171024844
2-cyano-4-iodo-5-methylbenzamide
CID 171025583
3-acetyl-5-amino-2-iodobenzonitrile
CID 171025472
4-cyano-5-fluoro-2-formylbenzamide
CID 171015999
5-cyano-2-formyl-4-iodobenzamide
CID 171013624
methyl 3-cyano-5-fluoro-2-hydroxybenzoate
CID 130951356
methyl 3-cyano-5-fluoro-2-methoxybenzoate
CID 134647232
2-cyano-3-fluoro-4-iodobenzamide
CID 171021891
2-(2-amino-3-cyano-5-fluorophenyl)acetic acid
CID 171011172
3-cyano-4-fluorobenzamide
CID 68505906
2-amino-3-(2-cyano-4-fluoroanilino)benzamide
CID 82684668

Frequently Asked Questions

What is the IUPAC name of 3-cyano-5-fluoro-2-iodobenzamide?
The IUPAC name of 3-cyano-5-fluoro-2-iodobenzamide (CID 171021829) is 3-cyano-5-fluoro-2-iodobenzamide.
What is the SMILES notation for 3-cyano-5-fluoro-2-iodobenzamide?
The canonical SMILES for 3-cyano-5-fluoro-2-iodobenzamide is N#Cc1cc(F)cc(C(N)=O)c1I.
What is the InChIKey of 3-cyano-5-fluoro-2-iodobenzamide?
The InChIKey is KKRMUKIKGYRXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FIN2O/c9-5-1-4(3-11)7(10)6(2-5)8(12)13/h1-2H,(H2,12,13).
What are the key properties of 3-cyano-5-fluoro-2-iodobenzamide?
3-cyano-5-fluoro-2-iodobenzamide has a molecular weight of 290.04 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-5-fluoro-2-iodobenzamide is sourced from PubChem (CID 171021829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).