[2-(2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

C20H16FNO6 — CID 2365358

IUPAC[2-(2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCc1cc(=O)oc2cc(OCC(=O)OCC(=O)Nc3ccccc3F)ccc12
InChIInChI=1S/C20H16FNO6/c1-12-8-19(24)28-17-9-13(6-7-14(12)17)26-11-20(25)27-10-18(23)22-16-5-3-2-4-15(16)21/h2-9H,10-11H2,1H3,(H,22,23)
InChIKeyLQRQFQUFIWGJOH-UHFFFAOYSA-N
MW385.35 g/mol
LogP2.80
Rot. Bonds6

About [2-(2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

[2-(2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (PubChem CID 2365358) has the molecular formula C20H16FNO6 and a molecular weight of 385.35 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
PubChem CID2365358
Molecular FormulaC20H16FNO6
Molecular Weight385.35 g/mol
Exact Mass385.10
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCc1cc(=O)oc2cc(OCC(=O)OCC(=O)Nc3ccccc3F)ccc12
InChIInChI=1S/C20H16FNO6/c1-12-8-19(24)28-17-9-13(6-7-14(12)17)26-11-20(25)27-10-18(23)22-16-5-3-2-4-15(16)21/h2-9H,10-11H2,1H3,(H,22,23)
InChIKeyLQRQFQUFIWGJOH-UHFFFAOYSA-N
XLogP2.80
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 749749
2-(2-methylphenoxy)-N-(2-oxo-2H-chromen-6-yl)acetamide
CID 969017
2-[2-(4-Methyl-2-oxo-2H-chromen-7-yloxy)-acetylamino]-benzoic acid
CID 1082766
[2-(2-Fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2355174
[2-(3-Methylanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 2421840
[1-Oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 3501685
[2-[5-(Dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4192758
N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18077750
[(4-Fluorophenyl)carbamoyl]methyl 2-(4-methoxyphenyl)acetate
CID 2335014
[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 4385914
Phenyl-carbamic acid 8-allyl-2-oxo-2H-chromen-7-yl ester
CID 11723581
N-(2-ethoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 888665

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (CID 2365358) is [2-(2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)Nc3ccccc3F)ccc12.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The InChIKey is LQRQFQUFIWGJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO6/c1-12-8-19(24)28-17-9-13(6-7-14(12)17)26-11-20(25)27-10-18(23)22-16-5-3-2-4-15(16)21/h2-9H,10-11H2,1H3,(H,22,23).
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
[2-(2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate has a molecular weight of 385.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is sourced from PubChem (CID 2365358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).