N-(3-cyano-4,5-dimethylfuran-2-yl)-2-iodobenzamide

C14H11IN2O2 — CID 108762743

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-2-iodobenzamide
SMILESCc1oc(NC(=O)c2ccccc2I)c(C#N)c1C
InChIInChI=1S/C14H11IN2O2/c1-8-9(2)19-14(11(8)7-16)17-13(18)10-5-3-4-6-12(10)15/h3-6H,1-2H3,(H,17,18)
InChIKeyHSMTVQCLMLJCEK-UHFFFAOYSA-N
MW366.16 g/mol
LogP3.63
Rot. Bonds2

About N-(3-cyano-4,5-dimethylfuran-2-yl)-2-iodobenzamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-iodobenzamide (PubChem CID 108762743) has the molecular formula C14H11IN2O2 and a molecular weight of 366.16 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-iodobenzamide
PubChem CID108762743
Molecular FormulaC14H11IN2O2
Molecular Weight366.16 g/mol
Exact Mass365.99
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-iodobenzamide
SMILESCc1oc(NC(=O)c2ccccc2I)c(C#N)c1C
InChIInChI=1S/C14H11IN2O2/c1-8-9(2)19-14(11(8)7-16)17-13(18)10-5-3-4-6-12(10)15/h3-6H,1-2H3,(H,17,18)
InChIKeyHSMTVQCLMLJCEK-UHFFFAOYSA-N
XLogP3.63
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.16
LogP ≤ 53.63
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

N-(3-cyano-4,5-dimethylfuran-2-yl)-4-methylbenzamide
CID 108762728
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-oxochromene-3-carboxamide
CID 108740106
methyl 3-[(3-cyano-4,5-dimethylfuran-2-yl)carbamoyl]benzoate
CID 108740250
N-(3-cyano-4,5-dimethylfuran-2-yl)-3,5-dimethoxybenzamide
CID 108762746
2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
CID 9458920
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-fluorobenzamide
CID 108762895
2-chloro-N-(3-cyano-4,5-dimethylfuran-2-yl)-5-nitrobenzamide
CID 108740165
methyl 5-[(2-chlorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
CID 108757254
2-(benzhydrylamino)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
CID 42126507
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylacetamide
CID 108740257
methyl 4-cyano-5-[(2-fluorobenzoyl)amino]-2-methylfuran-3-carboxylate
CID 108757235
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108801399

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-iodobenzamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-iodobenzamide (CID 108762743) is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-iodobenzamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-iodobenzamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-iodobenzamide is Cc1oc(NC(=O)c2ccccc2I)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-iodobenzamide?
The InChIKey is HSMTVQCLMLJCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O2/c1-8-9(2)19-14(11(8)7-16)17-13(18)10-5-3-4-6-12(10)15/h3-6H,1-2H3,(H,17,18).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-iodobenzamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-iodobenzamide has a molecular weight of 366.16 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-iodobenzamide is sourced from PubChem (CID 108762743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).