2-ethyl-N-(5-iodo-2-methylphenyl)furan-3-carboxamide

C14H14INO2 — CID 114150518

IUPAC2-ethyl-N-(5-iodo-2-methylphenyl)furan-3-carboxamide
SMILESCCc1occc1C(=O)Nc1cc(I)ccc1C
InChIInChI=1S/C14H14INO2/c1-3-13-11(6-7-18-13)14(17)16-12-8-10(15)5-4-9(12)2/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyIYHZFUKNYXDISG-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.01
Rot. Bonds3

About 2-ethyl-N-(5-iodo-2-methylphenyl)furan-3-carboxamide

2-ethyl-N-(5-iodo-2-methylphenyl)furan-3-carboxamide (PubChem CID 114150518) has the molecular formula C14H14INO2 and a molecular weight of 355.18 g/mol. Its IUPAC name is 2-ethyl-N-(5-iodo-2-methylphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(5-iodo-2-methylphenyl)furan-3-carboxamide
PubChem CID114150518
Molecular FormulaC14H14INO2
Molecular Weight355.18 g/mol
Exact Mass355.01
IUPAC Name2-ethyl-N-(5-iodo-2-methylphenyl)furan-3-carboxamide
SMILESCCc1occc1C(=O)Nc1cc(I)ccc1C
InChIInChI=1S/C14H14INO2/c1-3-13-11(6-7-18-13)14(17)16-12-8-10(15)5-4-9(12)2/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyIYHZFUKNYXDISG-UHFFFAOYSA-N
XLogP4.01
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(5-iodo-2-methylphenyl)furan-3-carboxamide?
The IUPAC name of 2-ethyl-N-(5-iodo-2-methylphenyl)furan-3-carboxamide (CID 114150518) is 2-ethyl-N-(5-iodo-2-methylphenyl)furan-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-(5-iodo-2-methylphenyl)furan-3-carboxamide?
The canonical SMILES for 2-ethyl-N-(5-iodo-2-methylphenyl)furan-3-carboxamide is CCc1occc1C(=O)Nc1cc(I)ccc1C.
What is the InChIKey of 2-ethyl-N-(5-iodo-2-methylphenyl)furan-3-carboxamide?
The InChIKey is IYHZFUKNYXDISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO2/c1-3-13-11(6-7-18-13)14(17)16-12-8-10(15)5-4-9(12)2/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-ethyl-N-(5-iodo-2-methylphenyl)furan-3-carboxamide?
2-ethyl-N-(5-iodo-2-methylphenyl)furan-3-carboxamide has a molecular weight of 355.18 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(5-iodo-2-methylphenyl)furan-3-carboxamide is sourced from PubChem (CID 114150518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).