[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2-(2,5-dichlorophenoxy)acetate

C23H15Cl2NO7 — CID 19180660

IUPAC[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2-(2,5-dichlorophenoxy)acetate
SMILESO=C(COc1cc(Cl)ccc1Cl)Oc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1
InChIInChI=1S/C23H15Cl2NO7/c24-14-4-6-18(25)20(9-14)31-12-21(27)32-15-5-3-13-8-17(23(29)33-19(13)10-15)22(28)26-11-16-2-1-7-30-16/h1-10H,11-12H2,(H,26,28)
InChIKeyLEIAHNUHLCQVRV-UHFFFAOYSA-N
MW488.28 g/mol
LogP4.61
Rot. Bonds7

About [3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2-(2,5-dichlorophenoxy)acetate

[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2-(2,5-dichlorophenoxy)acetate (PubChem CID 19180660) has the molecular formula C23H15Cl2NO7 and a molecular weight of 488.28 g/mol. Its IUPAC name is [3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2-(2,5-dichlorophenoxy)acetate.

Molecular Properties

Compound Name[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2-(2,5-dichlorophenoxy)acetate
PubChem CID19180660
Molecular FormulaC23H15Cl2NO7
Molecular Weight488.28 g/mol
Exact Mass487.02
IUPAC Name[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2-(2,5-dichlorophenoxy)acetate
SMILESO=C(COc1cc(Cl)ccc1Cl)Oc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1
InChIInChI=1S/C23H15Cl2NO7/c24-14-4-6-18(25)20(9-14)31-12-21(27)32-15-5-3-13-8-17(23(29)33-19(13)10-15)22(28)26-11-16-2-1-7-30-16/h1-10H,11-12H2,(H,26,28)
InChIKeyLEIAHNUHLCQVRV-UHFFFAOYSA-N
XLogP4.61
TPSA107.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.28
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[3-(benzylcarbamoyl)-2-oxochromen-7-yl] 2-(4-chloro-2-methylphenoxy)acetate
CID 19185547
7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 5262910
[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate
CID 19182034
N-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263602
[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] thiophene-2-carboxylate
CID 19185223
[3-(butylcarbamoyl)-2-oxochromen-7-yl] 2-(4-chloro-2-methylphenoxy)acetate
CID 19180581
[3-(2-methylpropylcarbamoyl)-2-oxochromen-7-yl] 2-(4-chlorophenoxy)acetate
CID 19186723
[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 19182022
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34658669
[3-(benzylcarbamoyl)-2-oxochromen-7-yl] 2-(2-propan-2-ylphenoxy)acetate
CID 19185552
[2-oxo-3-(propylcarbamoyl)chromen-7-yl] 2-(2-ethylphenoxy)acetate
CID 19187258
[3-(benzylcarbamoyl)-2-oxochromen-7-yl] 2-(4-ethoxyphenoxy)acetate
CID 19185577

Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2-(2,5-dichlorophenoxy)acetate?
The IUPAC name of [3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2-(2,5-dichlorophenoxy)acetate (CID 19180660) is [3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2-(2,5-dichlorophenoxy)acetate.
What is the SMILES notation for [3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2-(2,5-dichlorophenoxy)acetate?
The canonical SMILES for [3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2-(2,5-dichlorophenoxy)acetate is O=C(COc1cc(Cl)ccc1Cl)Oc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1.
What is the InChIKey of [3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2-(2,5-dichlorophenoxy)acetate?
The InChIKey is LEIAHNUHLCQVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2NO7/c24-14-4-6-18(25)20(9-14)31-12-21(27)32-15-5-3-13-8-17(23(29)33-19(13)10-15)22(28)26-11-16-2-1-7-30-16/h1-10H,11-12H2,(H,26,28).
What are the key properties of [3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2-(2,5-dichlorophenoxy)acetate?
[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2-(2,5-dichlorophenoxy)acetate has a molecular weight of 488.28 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2-(2,5-dichlorophenoxy)acetate is sourced from PubChem (CID 19180660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).