[2-(3,5-difluoroanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate

C19H13F2NO6 — CID 46808974

IUPAC[2-(3,5-difluoroanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
SMILESO=C(COC(=O)COc1ccc2ccc(=O)oc2c1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C19H13F2NO6/c20-12-5-13(21)7-14(6-12)22-17(23)9-27-19(25)10-26-15-3-1-11-2-4-18(24)28-16(11)8-15/h1-8H,9-10H2,(H,22,23)
InChIKeyHCYHMEUTCOYFIP-UHFFFAOYSA-N
MW389.31 g/mol
LogP2.63
Rot. Bonds6

About [2-(3,5-difluoroanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate

[2-(3,5-difluoroanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate (PubChem CID 46808974) has the molecular formula C19H13F2NO6 and a molecular weight of 389.31 g/mol. Its IUPAC name is [2-(3,5-difluoroanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate.

Molecular Properties

Compound Name[2-(3,5-difluoroanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
PubChem CID46808974
Molecular FormulaC19H13F2NO6
Molecular Weight389.31 g/mol
Exact Mass389.07
IUPAC Name[2-(3,5-difluoroanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
SMILESO=C(COC(=O)COc1ccc2ccc(=O)oc2c1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C19H13F2NO6/c20-12-5-13(21)7-14(6-12)22-17(23)9-27-19(25)10-26-15-3-1-11-2-4-18(24)28-16(11)8-15/h1-8H,9-10H2,(H,22,23)
InChIKeyHCYHMEUTCOYFIP-UHFFFAOYSA-N
XLogP2.63
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.31
LogP ≤ 52.63
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

[2-(4-methylsulfanylanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
CID 55468723
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
CID 42967063
N-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705048
ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232
N-(4-fluoro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 32607911
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(2-oxochromen-7-yl)oxyacetate
CID 55469981
2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide
CID 7233726
N-(6-methoxy-3-pyridinyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 26515775
N,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 7565046
N-dibenzofuran-2-yl-2-(2-oxochromen-7-yl)oxyacetamide
CID 8536224
N-(1-methylpyrazol-4-yl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 32603710
2-(2-oxochromen-7-yl)oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 7233718

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-difluoroanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate?
The IUPAC name of [2-(3,5-difluoroanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate (CID 46808974) is [2-(3,5-difluoroanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate.
What is the SMILES notation for [2-(3,5-difluoroanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate?
The canonical SMILES for [2-(3,5-difluoroanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate is O=C(COC(=O)COc1ccc2ccc(=O)oc2c1)Nc1cc(F)cc(F)c1.
What is the InChIKey of [2-(3,5-difluoroanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate?
The InChIKey is HCYHMEUTCOYFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO6/c20-12-5-13(21)7-14(6-12)22-17(23)9-27-19(25)10-26-15-3-1-11-2-4-18(24)28-16(11)8-15/h1-8H,9-10H2,(H,22,23).
What are the key properties of [2-(3,5-difluoroanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate?
[2-(3,5-difluoroanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate has a molecular weight of 389.31 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-difluoroanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate is sourced from PubChem (CID 46808974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).