6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-(2-hydroxyethoxy)acetyl]-2,3-dihydroisoindol-1-one

C19H17FINO4 — CID 58277494

IUPAC6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-(2-hydroxyethoxy)acetyl]-2,3-dihydroisoindol-1-one
SMILESO=C(COCCO)c1cc2c(cc1Cc1ccc(I)cc1F)C(=O)NC2
InChIInChI=1S/C19H17FINO4/c20-17-8-14(21)2-1-11(17)5-12-6-16-13(9-22-19(16)25)7-15(12)18(24)10-26-4-3-23/h1-2,6-8,23H,3-5,9-10H2,(H,22,25)
InChIKeyAKUVTBVINZGCSJ-UHFFFAOYSA-N
MW469.25 g/mol
LogP2.46
Rot. Bonds7

About 6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-(2-hydroxyethoxy)acetyl]-2,3-dihydroisoindol-1-one

6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-(2-hydroxyethoxy)acetyl]-2,3-dihydroisoindol-1-one (PubChem CID 58277494) has the molecular formula C19H17FINO4 and a molecular weight of 469.25 g/mol. Its IUPAC name is 6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-(2-hydroxyethoxy)acetyl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-(2-hydroxyethoxy)acetyl]-2,3-dihydroisoindol-1-one
PubChem CID58277494
Molecular FormulaC19H17FINO4
Molecular Weight469.25 g/mol
Exact Mass469.02
IUPAC Name6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-(2-hydroxyethoxy)acetyl]-2,3-dihydroisoindol-1-one
SMILESO=C(COCCO)c1cc2c(cc1Cc1ccc(I)cc1F)C(=O)NC2
InChIInChI=1S/C19H17FINO4/c20-17-8-14(21)2-1-11(17)5-12-6-16-13(9-22-19(16)25)7-15(12)18(24)10-26-4-3-23/h1-2,6-8,23H,3-5,9-10H2,(H,22,25)
InChIKeyAKUVTBVINZGCSJ-UHFFFAOYSA-N
XLogP2.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.25
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-(2-hydroxyethoxy)acetyl]-2,3-dihydroisoindol-1-one 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-[2-(2-ethenoxyethoxy)acetyl]-6-[(2-fluoro-4-iodophenyl)methyl]-2,3-dihydroisoindol-1-one
CID 58277509
6-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-oxo-2,3-dihydroisoindole-5-carboxamide
CID 44545707
1-[4-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]-1,3-benzoxazol-6-yl]-2-(2-hydroxyethoxy)ethanone
CID 148535878
1-[3-[(2-fluoro-4-iodophenyl)methyl]thieno[3,2-c]pyridin-2-yl]-2-(2-hydroxyethoxy)ethanone
CID 123161844
N-[(2R)-2,3-dihydroxypropoxy]-6-(2-fluoro-4-iodoanilino)-1-oxo-2,3-dihydroisoindole-5-carboxamide
CID 45107546
1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone
CID 58300341
6-benzyl-1-oxo-2,3-dihydroisoindole-5-carboxylic acid;ethane
CID 123339233
1-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-2-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanone
CID 58431569
2-(2-ethenoxyethoxy)-1-[4-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]-1,2,3-benzothiadiazol-6-yl]ethanone;1-[4-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]-1,2,3-benzothiadiazol-6-yl]-2-(2-hydroxyethoxy)ethanone
CID 161448703
5-[2-(2-hydroxyethoxy)acetyl]-6-[(4-iodo-2-methylphenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 58374916
3-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one
CID 58368295
2-(2-ethenoxyethoxy)-1-[4-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]-1,2,3-benzothiadiazol-6-yl]ethanone
CID 152916690

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-(2-hydroxyethoxy)acetyl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-(2-hydroxyethoxy)acetyl]-2,3-dihydroisoindol-1-one (CID 58277494) is 6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-(2-hydroxyethoxy)acetyl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-(2-hydroxyethoxy)acetyl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-(2-hydroxyethoxy)acetyl]-2,3-dihydroisoindol-1-one is O=C(COCCO)c1cc2c(cc1Cc1ccc(I)cc1F)C(=O)NC2.
What is the InChIKey of 6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-(2-hydroxyethoxy)acetyl]-2,3-dihydroisoindol-1-one?
The InChIKey is AKUVTBVINZGCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FINO4/c20-17-8-14(21)2-1-11(17)5-12-6-16-13(9-22-19(16)25)7-15(12)18(24)10-26-4-3-23/h1-2,6-8,23H,3-5,9-10H2,(H,22,25).
What are the key properties of 6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-(2-hydroxyethoxy)acetyl]-2,3-dihydroisoindol-1-one?
6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-(2-hydroxyethoxy)acetyl]-2,3-dihydroisoindol-1-one has a molecular weight of 469.25 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-(2-hydroxyethoxy)acetyl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 58277494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).