5-[(4-iodophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide

C17H16IN3O3 — CID 19417314

IUPAC5-[(4-iodophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
SMILESCn1cc(CNC(=O)c2ccc(COc3ccc(I)cc3)o2)cn1
InChIInChI=1S/C17H16IN3O3/c1-21-10-12(9-20-21)8-19-17(22)16-7-6-15(24-16)11-23-14-4-2-13(18)3-5-14/h2-7,9-10H,8,11H2,1H3,(H,19,22)
InChIKeyIIXLZVIUISZMDE-UHFFFAOYSA-N
MW437.24 g/mol
LogP3.13
Rot. Bonds6

About 5-[(4-iodophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide

5-[(4-iodophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide (PubChem CID 19417314) has the molecular formula C17H16IN3O3 and a molecular weight of 437.24 g/mol. Its IUPAC name is 5-[(4-iodophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-iodophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
PubChem CID19417314
Molecular FormulaC17H16IN3O3
Molecular Weight437.24 g/mol
Exact Mass437.02
IUPAC Name5-[(4-iodophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
SMILESCn1cc(CNC(=O)c2ccc(COc3ccc(I)cc3)o2)cn1
InChIInChI=1S/C17H16IN3O3/c1-21-10-12(9-20-21)8-19-17(22)16-7-6-15(24-16)11-23-14-4-2-13(18)3-5-14/h2-7,9-10H,8,11H2,1H3,(H,19,22)
InChIKeyIIXLZVIUISZMDE-UHFFFAOYSA-N
XLogP3.13
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.24
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[(4-iodophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]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

5-[(4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19292297
N-[(1-methylpyrazol-4-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19292377
5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19417296
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[[5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxamide
CID 19336893
4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292350
5-bromo-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 39891817
5-[(4-chloro-3-methylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19417001
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19571740
N-[(1-ethylpyrazol-4-yl)methyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467233
4-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19336789
5-[(4-ethoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 2166338
N-[3-(diethylamino)propyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19446041

Frequently Asked Questions

What is the IUPAC name of 5-[(4-iodophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-iodophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide (CID 19417314) is 5-[(4-iodophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-iodophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-iodophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide is Cn1cc(CNC(=O)c2ccc(COc3ccc(I)cc3)o2)cn1.
What is the InChIKey of 5-[(4-iodophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide?
The InChIKey is IIXLZVIUISZMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16IN3O3/c1-21-10-12(9-20-21)8-19-17(22)16-7-6-15(24-16)11-23-14-4-2-13(18)3-5-14/h2-7,9-10H,8,11H2,1H3,(H,19,22).
What are the key properties of 5-[(4-iodophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide?
5-[(4-iodophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide has a molecular weight of 437.24 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-iodophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 19417314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).