2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(3-fluorophenyl)acetamide

C17H11ClFIN2O2 — CID 24578666

IUPAC2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(3-fluorophenyl)acetamide
SMILESO=C(COc1c(I)cc(Cl)c2cccnc12)Nc1cccc(F)c1
InChIInChI=1S/C17H11ClFIN2O2/c18-13-8-14(20)17(16-12(13)5-2-6-21-16)24-9-15(23)22-11-4-1-3-10(19)7-11/h1-8H,9H2,(H,22,23)
InChIKeyXXZXOQBATPYYGB-UHFFFAOYSA-N
MW456.64 g/mol
LogP4.65
Rot. Bonds4

About 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(3-fluorophenyl)acetamide

2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(3-fluorophenyl)acetamide (PubChem CID 24578666) has the molecular formula C17H11ClFIN2O2 and a molecular weight of 456.64 g/mol. Its IUPAC name is 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(3-fluorophenyl)acetamide
PubChem CID24578666
Molecular FormulaC17H11ClFIN2O2
Molecular Weight456.64 g/mol
Exact Mass455.95
IUPAC Name2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(3-fluorophenyl)acetamide
SMILESO=C(COc1c(I)cc(Cl)c2cccnc12)Nc1cccc(F)c1
InChIInChI=1S/C17H11ClFIN2O2/c18-13-8-14(20)17(16-12(13)5-2-6-21-16)24-9-15(23)22-11-4-1-3-10(19)7-11/h1-8H,9H2,(H,22,23)
InChIKeyXXZXOQBATPYYGB-UHFFFAOYSA-N
XLogP4.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.64
LogP ≤ 54.65
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

2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(2,4-dimethoxyphenyl)acetamide
CID 24578664
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide
CID 24578687
1-(5-chloro-7-iodoquinolin-8-yl)oxy-3,3-dimethylbutan-2-one
CID 24578624
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(4-methyl-2-nitrophenyl)acetamide
CID 24578657
2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-fluorophenyl)acetamide
CID 115951922
N-(3-chloro-4-fluorophenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716349
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N'-hydroxyethanimidamide
CID 71319984
2-(2,6-dimethoxyphenoxy)-N-(3-fluorophenyl)acetamide
CID 7612567
butyl 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate
CID 63416672
2-(5-chloroquinolin-8-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 8716362
[2-(butan-2-ylamino)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate
CID 42971775
2-(5-chloro-7-iodoquinolin-8-yl)oxy-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 24623003

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(3-fluorophenyl)acetamide (CID 24578666) is 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(3-fluorophenyl)acetamide is O=C(COc1c(I)cc(Cl)c2cccnc12)Nc1cccc(F)c1.
What is the InChIKey of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(3-fluorophenyl)acetamide?
The InChIKey is XXZXOQBATPYYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFIN2O2/c18-13-8-14(20)17(16-12(13)5-2-6-21-16)24-9-15(23)22-11-4-1-3-10(19)7-11/h1-8H,9H2,(H,22,23).
What are the key properties of 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(3-fluorophenyl)acetamide?
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(3-fluorophenyl)acetamide has a molecular weight of 456.64 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 24578666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).