N-(4-fluoro-2-iodophenyl)-3-methylfuran-2-carboxamide

C12H9FINO2 — CID 79766212

IUPACN-(4-fluoro-2-iodophenyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C12H9FINO2/c1-7-4-5-17-11(7)12(16)15-10-3-2-8(13)6-9(10)14/h2-6H,1H3,(H,15,16)
InChIKeyCOUKHGBQSDCEDJ-UHFFFAOYSA-N
MW345.11 g/mol
LogP3.58
Rot. Bonds2

About N-(4-fluoro-2-iodophenyl)-3-methylfuran-2-carboxamide

N-(4-fluoro-2-iodophenyl)-3-methylfuran-2-carboxamide (PubChem CID 79766212) has the molecular formula C12H9FINO2 and a molecular weight of 345.11 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-3-methylfuran-2-carboxamide
PubChem CID79766212
Molecular FormulaC12H9FINO2
Molecular Weight345.11 g/mol
Exact Mass344.97
IUPAC NameN-(4-fluoro-2-iodophenyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C12H9FINO2/c1-7-4-5-17-11(7)12(16)15-10-3-2-8(13)6-9(10)14/h2-6H,1H3,(H,15,16)
InChIKeyCOUKHGBQSDCEDJ-UHFFFAOYSA-N
XLogP3.58
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.11
LogP ≤ 53.58
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

4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923
N-(4-fluoro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 79766728
N-(4-fluoro-2-iodophenyl)-3-hydroxy-4-methylbenzamide
CID 79766392
N-(3-iodophenyl)-3-methylfuran-2-carboxamide
CID 27445102
5-amino-2-[(3-methylfuran-2-carbonyl)amino]benzoic acid
CID 63115795
N-(4-fluoro-2-iodophenyl)-4-iodobenzamide
CID 79767050
N-(3-hydroxy-2-methylphenyl)-3-methylfuran-2-carboxamide
CID 64793072
N-(4-fluoro-2-iodophenyl)-4-methylsulfanylbenzamide
CID 79766642
1-(4-fluoro-2-iodophenyl)-3-(4-methylphenyl)urea
CID 79766973
2-amino-N-(4-fluoro-2-iodophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79766278
N-(4-fluoro-2-iodophenyl)-2-(prop-2-ynylamino)acetamide
CID 79767023
3-bromo-N-(4-fluoro-2-iodophenyl)prop-2-ynamide
CID 130731454

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-3-methylfuran-2-carboxamide (CID 79766212) is N-(4-fluoro-2-iodophenyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)Nc1ccc(F)cc1I.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-3-methylfuran-2-carboxamide?
The InChIKey is COUKHGBQSDCEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FINO2/c1-7-4-5-17-11(7)12(16)15-10-3-2-8(13)6-9(10)14/h2-6H,1H3,(H,15,16).
What are the key properties of N-(4-fluoro-2-iodophenyl)-3-methylfuran-2-carboxamide?
N-(4-fluoro-2-iodophenyl)-3-methylfuran-2-carboxamide has a molecular weight of 345.11 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 79766212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).