2,3-dihydroindol-1-yl-[5-[(4-iodophenoxy)methyl]furan-2-yl]methanone

C20H16INO3 — CID 1017781

IUPAC2,3-dihydroindol-1-yl-[5-[(4-iodophenoxy)methyl]furan-2-yl]methanone
SMILESO=C(c1ccc(COc2ccc(I)cc2)o1)N1CCc2ccccc21
InChIInChI=1S/C20H16INO3/c21-15-5-7-16(8-6-15)24-13-17-9-10-19(25-17)20(23)22-12-11-14-3-1-2-4-18(14)22/h1-10H,11-13H2
InChIKeyNARMTRYGNKFSNQ-UHFFFAOYSA-N
MW445.26 g/mol
LogP4.67
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[5-[(4-iodophenoxy)methyl]furan-2-yl]methanone

2,3-dihydroindol-1-yl-[5-[(4-iodophenoxy)methyl]furan-2-yl]methanone (PubChem CID 1017781) has the molecular formula C20H16INO3 and a molecular weight of 445.26 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[5-[(4-iodophenoxy)methyl]furan-2-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[5-[(4-iodophenoxy)methyl]furan-2-yl]methanone
PubChem CID1017781
Molecular FormulaC20H16INO3
Molecular Weight445.26 g/mol
Exact Mass445.02
IUPAC Name2,3-dihydroindol-1-yl-[5-[(4-iodophenoxy)methyl]furan-2-yl]methanone
SMILESO=C(c1ccc(COc2ccc(I)cc2)o1)N1CCc2ccccc21
InChIInChI=1S/C20H16INO3/c21-15-5-7-16(8-6-15)24-13-17-9-10-19(25-17)20(23)22-12-11-14-3-1-2-4-18(14)22/h1-10H,11-13H2
InChIKeyNARMTRYGNKFSNQ-UHFFFAOYSA-N
XLogP4.67
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.26
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroindol-1-yl-[5-(phenoxymethyl)furan-2-yl]methanone
CID 17409583
1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone
CID 1242466
[5-(chloromethyl)furan-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 82109788
(6-bromo-2,3-dihydroindol-1-yl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 56788508
(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[5-(phenoxymethyl)furan-2-yl]methanone
CID 43066677
[5-(2-amino-4-methoxyphenyl)furan-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 91679646
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 45148366
[5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 1224559
2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone
CID 8778658
[5-(aminomethyl)furan-2-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 126767960
3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanone
CID 1084331
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 27665248

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[5-[(4-iodophenoxy)methyl]furan-2-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[5-[(4-iodophenoxy)methyl]furan-2-yl]methanone (CID 1017781) is 2,3-dihydroindol-1-yl-[5-[(4-iodophenoxy)methyl]furan-2-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[5-[(4-iodophenoxy)methyl]furan-2-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[5-[(4-iodophenoxy)methyl]furan-2-yl]methanone is O=C(c1ccc(COc2ccc(I)cc2)o1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[5-[(4-iodophenoxy)methyl]furan-2-yl]methanone?
The InChIKey is NARMTRYGNKFSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16INO3/c21-15-5-7-16(8-6-15)24-13-17-9-10-19(25-17)20(23)22-12-11-14-3-1-2-4-18(14)22/h1-10H,11-13H2.
What are the key properties of 2,3-dihydroindol-1-yl-[5-[(4-iodophenoxy)methyl]furan-2-yl]methanone?
2,3-dihydroindol-1-yl-[5-[(4-iodophenoxy)methyl]furan-2-yl]methanone has a molecular weight of 445.26 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[5-[(4-iodophenoxy)methyl]furan-2-yl]methanone is sourced from PubChem (CID 1017781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).