N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide

C17H12INO4 — CID 2667413

IUPACN-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)Nc1ccccc1I
InChIInChI=1S/C17H12INO4/c18-13-3-1-2-4-14(13)19-16(20)10-22-12-7-5-11-6-8-17(21)23-15(11)9-12/h1-9H,10H2,(H,19,20)
InChIKeyFMXYJJHRKSNZJU-UHFFFAOYSA-N
MW421.19 g/mol
LogP3.42
Rot. Bonds4

About N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide

N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 2667413) has the molecular formula C17H12INO4 and a molecular weight of 421.19 g/mol. Its IUPAC name is N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID2667413
Molecular FormulaC17H12INO4
Molecular Weight421.19 g/mol
Exact Mass420.98
IUPAC NameN-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)Nc1ccccc1I
InChIInChI=1S/C17H12INO4/c18-13-3-1-2-4-14(13)19-16(20)10-22-12-7-5-11-6-8-17(21)23-15(11)9-12/h1-9H,10H2,(H,19,20)
InChIKeyFMXYJJHRKSNZJU-UHFFFAOYSA-N
XLogP3.42
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.19
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dichlorophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705129
N-[2-(2-hydroxyethyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 171911516
2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide
CID 7233726
methyl 2-methyl-6-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzoate
CID 17419486
N-(3-amino-3-oxopropyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 56573237
N-(4-bromo-2-methylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2610857
N-(furan-2-ylmethyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 46421125
N-(5-tert-butyl-2-hydroxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 27672834
N-dibenzofuran-2-yl-2-(2-oxochromen-7-yl)oxyacetamide
CID 8536224
N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide
CID 2128769
2-(2-oxochromen-7-yl)oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 7233718
N-(4-fluoro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 32607911

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide (CID 2667413) is N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide is O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccccc1I.
What is the InChIKey of N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is FMXYJJHRKSNZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12INO4/c18-13-3-1-2-4-14(13)19-16(20)10-22-12-7-5-11-6-8-17(21)23-15(11)9-12/h1-9H,10H2,(H,19,20).
What are the key properties of N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 421.19 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 2667413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).