5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide

C16H18INO3 — CID 19417296

IUPAC5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(COc2ccc(I)cc2)o1
InChIInChI=1S/C16H18INO3/c1-11(2)9-18-16(19)15-8-7-14(21-15)10-20-13-5-3-12(17)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeyHGXVMEVBSPDPKR-UHFFFAOYSA-N
MW399.23 g/mol
LogP3.85
Rot. Bonds6

About 5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide

5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide (PubChem CID 19417296) has the molecular formula C16H18INO3 and a molecular weight of 399.23 g/mol. Its IUPAC name is 5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
PubChem CID19417296
Molecular FormulaC16H18INO3
Molecular Weight399.23 g/mol
Exact Mass399.03
IUPAC Name5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(COc2ccc(I)cc2)o1
InChIInChI=1S/C16H18INO3/c1-11(2)9-18-16(19)15-8-7-14(21-15)10-20-13-5-3-12(17)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeyHGXVMEVBSPDPKR-UHFFFAOYSA-N
XLogP3.85
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455453
5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19467228
5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19446135
N-[3-(diethylamino)propyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19446041
5-[(4-cyanophenoxy)methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 86886561
5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 717010
5-[(4-iodophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19417314
N-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412877
5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide
CID 126206502
5-[(4-iodophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19417254
N-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448238
5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19459272

Frequently Asked Questions

What is the IUPAC name of 5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide (CID 19417296) is 5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide is CC(C)CNC(=O)c1ccc(COc2ccc(I)cc2)o1.
What is the InChIKey of 5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide?
The InChIKey is HGXVMEVBSPDPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18INO3/c1-11(2)9-18-16(19)15-8-7-14(21-15)10-20-13-5-3-12(17)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,18,19).
What are the key properties of 5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide?
5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide has a molecular weight of 399.23 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide is sourced from PubChem (CID 19417296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).