2-fluoro-N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide

C22H16FIN2O4 — CID 23832287

IUPAC2-fluoro-N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
SMILESO=C1CC(N(Cc2ccco2)C(=O)c2ccccc2F)C(=O)N1c1ccc(I)cc1
InChIInChI=1S/C22H16FIN2O4/c23-18-6-2-1-5-17(18)21(28)25(13-16-4-3-11-30-16)19-12-20(27)26(22(19)29)15-9-7-14(24)8-10-15/h1-11,19H,12-13H2
InChIKeyWDCOGIWAXBSIRP-UHFFFAOYSA-N
MW518.28 g/mol
LogP4.00
Rot. Bonds5

About 2-fluoro-N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide

2-fluoro-N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide (PubChem CID 23832287) has the molecular formula C22H16FIN2O4 and a molecular weight of 518.28 g/mol. Its IUPAC name is 2-fluoro-N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
PubChem CID23832287
Molecular FormulaC22H16FIN2O4
Molecular Weight518.28 g/mol
Exact Mass518.01
IUPAC Name2-fluoro-N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
SMILESO=C1CC(N(Cc2ccco2)C(=O)c2ccccc2F)C(=O)N1c1ccc(I)cc1
InChIInChI=1S/C22H16FIN2O4/c23-18-6-2-1-5-17(18)21(28)25(13-16-4-3-11-30-16)19-12-20(27)26(22(19)29)15-9-7-14(24)8-10-15/h1-11,19H,12-13H2
InChIKeyWDCOGIWAXBSIRP-UHFFFAOYSA-N
XLogP4.00
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.28
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 23915182
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 3121019
N-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 1364893
N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluorobenzamide
CID 23944461
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)furan-2-carboxamide
CID 23915227
4-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-(furan-2-ylmethyl)amino]-4-oxobutanoate
CID 6973834
N-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 1109163
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 2866571
N-(furan-2-ylmethyl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23802125
1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-1-(furan-2-ylmethyl)-3-methylthiourea
CID 2869060
4-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-(furan-2-ylmethyl)amino]-4-oxobutanoic acid
CID 4676004
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 25036334

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide (CID 23832287) is 2-fluoro-N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide is O=C1CC(N(Cc2ccco2)C(=O)c2ccccc2F)C(=O)N1c1ccc(I)cc1.
What is the InChIKey of 2-fluoro-N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide?
The InChIKey is WDCOGIWAXBSIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FIN2O4/c23-18-6-2-1-5-17(18)21(28)25(13-16-4-3-11-30-16)19-12-20(27)26(22(19)29)15-9-7-14(24)8-10-15/h1-11,19H,12-13H2.
What are the key properties of 2-fluoro-N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide?
2-fluoro-N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide has a molecular weight of 518.28 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 23832287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).