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

C14H14INO2 — CID 113368757

IUPAC5-ethyl-N-(3-iodo-2-methylphenyl)furan-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2cccc(I)c2C)o1
InChIInChI=1S/C14H14INO2/c1-3-10-7-8-13(18-10)14(17)16-12-6-4-5-11(15)9(12)2/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyFBTUCDFPZUIMDD-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.01
Rot. Bonds3

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

5-ethyl-N-(3-iodo-2-methylphenyl)furan-2-carboxamide (PubChem CID 113368757) has the molecular formula C14H14INO2 and a molecular weight of 355.18 g/mol. Its IUPAC name is 5-ethyl-N-(3-iodo-2-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(3-iodo-2-methylphenyl)furan-2-carboxamide
PubChem CID113368757
Molecular FormulaC14H14INO2
Molecular Weight355.18 g/mol
Exact Mass355.01
IUPAC Name5-ethyl-N-(3-iodo-2-methylphenyl)furan-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2cccc(I)c2C)o1
InChIInChI=1S/C14H14INO2/c1-3-10-7-8-13(18-10)14(17)16-12-6-4-5-11(15)9(12)2/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyFBTUCDFPZUIMDD-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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Related Compounds

5-ethyl-N-quinolin-8-ylfuran-2-carboxamide
CID 110697813
N-(2-amino-5-methylphenyl)-5-ethylfuran-2-carboxamide
CID 112557315
5-ethyl-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide
CID 112726930
4-[(5-ethylfuran-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880744
N-(2-carbamothioyl-3-fluorophenyl)-5-ethylfuran-2-carboxamide
CID 79094126
4-[(5-ethylfuran-2-carbonyl)amino]-3-methylbenzoic acid
CID 43351217
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide
CID 110697812
5-ethyl-N-(8-methylquinolin-5-yl)furan-2-carboxamide
CID 46404652
5-ethyl-N-[4-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 64793917
N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-5-ethylfuran-2-carboxamide
CID 56784276
N-(4-amino-2-chlorophenyl)-5-ethylfuran-2-carboxamide
CID 79095779

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-iodo-2-methylphenyl)furan-2-carboxamide?
The IUPAC name of 5-ethyl-N-(3-iodo-2-methylphenyl)furan-2-carboxamide (CID 113368757) is 5-ethyl-N-(3-iodo-2-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(3-iodo-2-methylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(3-iodo-2-methylphenyl)furan-2-carboxamide is CCc1ccc(C(=O)Nc2cccc(I)c2C)o1.
What is the InChIKey of 5-ethyl-N-(3-iodo-2-methylphenyl)furan-2-carboxamide?
The InChIKey is FBTUCDFPZUIMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO2/c1-3-10-7-8-13(18-10)14(17)16-12-6-4-5-11(15)9(12)2/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of 5-ethyl-N-(3-iodo-2-methylphenyl)furan-2-carboxamide?
5-ethyl-N-(3-iodo-2-methylphenyl)furan-2-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 5-ethyl-N-(3-iodo-2-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 113368757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).