N-iodo-2-methylfuran-3-carboxamide

C6H6INO2 — CID 170236265

IUPACN-iodo-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NI
InChIInChI=1S/C6H6INO2/c1-4-5(2-3-10-4)6(9)8-7/h2-3H,1H3,(H,8,9)
InChIKeyULOMLJRLUJZGQM-UHFFFAOYSA-N
MW251.02 g/mol
LogP1.67
Rot. Bonds1

About N-iodo-2-methylfuran-3-carboxamide

N-iodo-2-methylfuran-3-carboxamide (PubChem CID 170236265) has the molecular formula C6H6INO2 and a molecular weight of 251.02 g/mol. Its IUPAC name is N-iodo-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-iodo-2-methylfuran-3-carboxamide
PubChem CID170236265
Molecular FormulaC6H6INO2
Molecular Weight251.02 g/mol
Exact Mass250.94
IUPAC NameN-iodo-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NI
InChIInChI=1S/C6H6INO2/c1-4-5(2-3-10-4)6(9)8-7/h2-3H,1H3,(H,8,9)
InChIKeyULOMLJRLUJZGQM-UHFFFAOYSA-N
XLogP1.67
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.02
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
N-(4-iodophenyl)-2-methylfuran-3-carboxamide
CID 903791
2-methyl-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 61262797
2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 16774723
CID 140659686
CID 140659686
N-(2,2-diphenylethyl)-2-methylfuran-3-carboxamide
CID 78808962
iodo 2-methylfuran-3-carboxylate
CID 126570406
2-iodo-1-(2-methylfuran-3-yl)ethanone
CID 89341465
N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide
CID 40584922
N-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide
CID 2970515
N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide
CID 965552
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylfuran-3-carboxamide
CID 61119424

Frequently Asked Questions

What is the IUPAC name of N-iodo-2-methylfuran-3-carboxamide?
The IUPAC name of N-iodo-2-methylfuran-3-carboxamide (CID 170236265) is N-iodo-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-iodo-2-methylfuran-3-carboxamide?
The canonical SMILES for N-iodo-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NI.
What is the InChIKey of N-iodo-2-methylfuran-3-carboxamide?
The InChIKey is ULOMLJRLUJZGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6INO2/c1-4-5(2-3-10-4)6(9)8-7/h2-3H,1H3,(H,8,9).
What are the key properties of N-iodo-2-methylfuran-3-carboxamide?
N-iodo-2-methylfuran-3-carboxamide has a molecular weight of 251.02 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-2-methylfuran-3-carboxamide is sourced from PubChem (CID 170236265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).