2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

C15H13F3N2O5 — CID 26752508

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NC(=O)NCC(F)(F)F)ccc12
InChIInChI=1S/C15H13F3N2O5/c1-8-4-13(22)25-11-5-9(2-3-10(8)11)24-6-12(21)20-14(23)19-7-15(16,17)18/h2-5H,6-7H2,1H3,(H2,19,20,21,23)
InChIKeyMUEYNIGJNYNXPK-UHFFFAOYSA-N
MW358.27 g/mol
LogP1.87
Rot. Bonds4

About 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 26752508) has the molecular formula C15H13F3N2O5 and a molecular weight of 358.27 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID26752508
Molecular FormulaC15H13F3N2O5
Molecular Weight358.27 g/mol
Exact Mass358.08
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NC(=O)NCC(F)(F)F)ccc12
InChIInChI=1S/C15H13F3N2O5/c1-8-4-13(22)25-11-5-9(2-3-10(8)11)24-6-12(21)20-14(23)19-7-15(16,17)18/h2-5H,6-7H2,1H3,(H2,19,20,21,23)
InChIKeyMUEYNIGJNYNXPK-UHFFFAOYSA-N
XLogP1.87
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
N-[(4-methoxyphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 12585323
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
1-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-propylurea
CID 7996338
N-(2,2-diphenylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 27448091
N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2571495
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1149747
N-[3-(dimethylamino)propyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 4911670
N-(2-tert-butylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 40597491
N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide
CID 7967934
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 16572175

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 26752508) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is Cc1cc(=O)oc2cc(OCC(=O)NC(=O)NCC(F)(F)F)ccc12.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is MUEYNIGJNYNXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O5/c1-8-4-13(22)25-11-5-9(2-3-10(8)11)24-6-12(21)20-14(23)19-7-15(16,17)18/h2-5H,6-7H2,1H3,(H2,19,20,21,23).
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 358.27 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 26752508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).