5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide

C20H17ClINO3 — CID 46483206

IUPAC5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide
SMILESO=C(NCc1cccc(COCc2ccco2)c1)c1cc(Cl)ccc1I
InChIInChI=1S/C20H17ClINO3/c21-16-6-7-19(22)18(10-16)20(24)23-11-14-3-1-4-15(9-14)12-25-13-17-5-2-8-26-17/h1-10H,11-13H2,(H,23,24)
InChIKeyUYQAHIJGRJEXBM-UHFFFAOYSA-N
MW481.72 g/mol
LogP5.18
Rot. Bonds7

About 5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide

5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide (PubChem CID 46483206) has the molecular formula C20H17ClINO3 and a molecular weight of 481.72 g/mol. Its IUPAC name is 5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide.

Molecular Properties

Compound Name5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide
PubChem CID46483206
Molecular FormulaC20H17ClINO3
Molecular Weight481.72 g/mol
Exact Mass480.99
IUPAC Name5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide
SMILESO=C(NCc1cccc(COCc2ccco2)c1)c1cc(Cl)ccc1I
InChIInChI=1S/C20H17ClINO3/c21-16-6-7-19(22)18(10-16)20(24)23-11-14-3-1-4-15(9-14)12-25-13-17-5-2-8-26-17/h1-10H,11-13H2,(H,23,24)
InChIKeyUYQAHIJGRJEXBM-UHFFFAOYSA-N
XLogP5.18
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.72
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-hydroxybenzamide
CID 39180502
6-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]quinoline-8-carboxamide
CID 55912973
1-(3-chlorophenyl)-3-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]urea
CID 38280820
1-(4-chlorophenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55660956
5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide
CID 46482881
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56812373
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-nitrobenzamide
CID 46434217
4,5-dibromo-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 46470427
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 55661067
N-(1-benzofuran-6-ylmethyl)-5-chloro-2-iodobenzamide
CID 166212980
N-[3-[[(4-chloro-2-iodobenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 46453642

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide?
The IUPAC name of 5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide (CID 46483206) is 5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide.
What is the SMILES notation for 5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide?
The canonical SMILES for 5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide is O=C(NCc1cccc(COCc2ccco2)c1)c1cc(Cl)ccc1I.
What is the InChIKey of 5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide?
The InChIKey is UYQAHIJGRJEXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClINO3/c21-16-6-7-19(22)18(10-16)20(24)23-11-14-3-1-4-15(9-14)12-25-13-17-5-2-8-26-17/h1-10H,11-13H2,(H,23,24).
What are the key properties of 5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide?
5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide has a molecular weight of 481.72 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide is sourced from PubChem (CID 46483206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).