N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C18H14INO4 — CID 1346536

IUPACN-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(I)cc3)ccc12
InChIInChI=1S/C18H14INO4/c1-11-8-18(22)24-16-9-14(6-7-15(11)16)23-10-17(21)20-13-4-2-12(19)3-5-13/h2-9H,10H2,1H3,(H,20,21)
InChIKeyKHIMZORYZJKIQV-UHFFFAOYSA-N
MW435.22 g/mol
LogP3.72
Rot. Bonds4

About N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 1346536) has the molecular formula C18H14INO4 and a molecular weight of 435.22 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID1346536
Molecular FormulaC18H14INO4
Molecular Weight435.22 g/mol
Exact Mass435.00
IUPAC NameN-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(I)cc3)ccc12
InChIInChI=1S/C18H14INO4/c1-11-8-18(22)24-16-9-14(6-7-15(11)16)23-10-17(21)20-13-4-2-12(19)3-5-13/h2-9H,10H2,1H3,(H,20,21)
InChIKeyKHIMZORYZJKIQV-UHFFFAOYSA-N
XLogP3.72
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.22
LogP ≤ 53.72
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-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide
CID 7967934
N-[(4-methoxyphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 12585323
2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2675768
[2-(4-tert-butylanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844259
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2367621
N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699405
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1149747
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412099
N-(7-methoxyquinolin-3-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 71826068
N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 863920

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 1346536) is N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(I)cc3)ccc12.
What is the InChIKey of N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is KHIMZORYZJKIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14INO4/c1-11-8-18(22)24-16-9-14(6-7-15(11)16)23-10-17(21)20-13-4-2-12(19)3-5-13/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 435.22 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 1346536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).