2-cyano-3-fluoro-4-iodobenzamide

C8H4FIN2O — CID 171021891

IUPAC2-cyano-3-fluoro-4-iodobenzamide
SMILESN#Cc1c(C(N)=O)ccc(I)c1F
InChIInChI=1S/C8H4FIN2O/c9-7-5(3-11)4(8(12)13)1-2-6(7)10/h1-2H,(H2,12,13)
InChIKeySVVIDIZIWOEGKM-UHFFFAOYSA-N
MW290.04 g/mol
LogP1.40
Rot. Bonds1

About 2-cyano-3-fluoro-4-iodobenzamide

2-cyano-3-fluoro-4-iodobenzamide (PubChem CID 171021891) has the molecular formula C8H4FIN2O and a molecular weight of 290.04 g/mol. Its IUPAC name is 2-cyano-3-fluoro-4-iodobenzamide.

Molecular Properties

Compound Name2-cyano-3-fluoro-4-iodobenzamide
PubChem CID171021891
Molecular FormulaC8H4FIN2O
Molecular Weight290.04 g/mol
Exact Mass289.94
IUPAC Name2-cyano-3-fluoro-4-iodobenzamide
SMILESN#Cc1c(C(N)=O)ccc(I)c1F
InChIInChI=1S/C8H4FIN2O/c9-7-5(3-11)4(8(12)13)1-2-6(7)10/h1-2H,(H2,12,13)
InChIKeySVVIDIZIWOEGKM-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

6-acetyl-2-fluoro-3-iodobenzonitrile
CID 171021224
2-cyano-3,4-difluorobenzamide
CID 131009208
3-cyano-2-fluoro-4-iodobenzoic acid
CID 130776628
3-cyano-2-fluoro-4-(trifluoromethyl)benzamide
CID 171015886
ethyl 3-cyano-2-fluoro-4-iodobenzoate
CID 131532626
2-cyano-3-(difluoromethyl)-4-iodobenzoic acid
CID 119021306
3-cyano-4-fluoro-2-(trifluoromethyl)benzamide
CID 171015989
5-cyano-2,3-difluorobenzamide
CID 131008452
2-cyano-4-formyl-3-(trifluoromethyl)benzamide
CID 171011932
6-acetyl-3-fluoro-2-iodobenzonitrile
CID 171021340
5-cyano-2-fluorobenzamide;hydrochloride
CID 165153570
2,3-diiodobenzene-1,4-dicarboxamide
CID 175130034

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-fluoro-4-iodobenzamide?
The IUPAC name of 2-cyano-3-fluoro-4-iodobenzamide (CID 171021891) is 2-cyano-3-fluoro-4-iodobenzamide.
What is the SMILES notation for 2-cyano-3-fluoro-4-iodobenzamide?
The canonical SMILES for 2-cyano-3-fluoro-4-iodobenzamide is N#Cc1c(C(N)=O)ccc(I)c1F.
What is the InChIKey of 2-cyano-3-fluoro-4-iodobenzamide?
The InChIKey is SVVIDIZIWOEGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FIN2O/c9-7-5(3-11)4(8(12)13)1-2-6(7)10/h1-2H,(H2,12,13).
What are the key properties of 2-cyano-3-fluoro-4-iodobenzamide?
2-cyano-3-fluoro-4-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 2-cyano-3-fluoro-4-iodobenzamide is sourced from PubChem (CID 171021891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).