ethyl 2-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluoroanilino]acetate

C19H15F3N2O4 — CID 15347003

IUPACethyl 2-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluoroanilino]acetate
SMILESCCOC(=O)CNc1ccc(-c2cc(=O)c3c(N)c(F)cc(F)c3o2)cc1F
InChIInChI=1S/C19H15F3N2O4/c1-2-27-16(26)8-24-13-4-3-9(5-10(13)20)15-7-14(25)17-18(23)11(21)6-12(22)19(17)28-15/h3-7,24H,2,8,23H2,1H3
InChIKeyUIDJEDSWUZCATG-UHFFFAOYSA-N
MW392.33 g/mol
LogP3.43
Rot. Bonds5

About ethyl 2-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluoroanilino]acetate

ethyl 2-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluoroanilino]acetate (PubChem CID 15347003) has the molecular formula C19H15F3N2O4 and a molecular weight of 392.33 g/mol. Its IUPAC name is ethyl 2-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluoroanilino]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluoroanilino]acetate
PubChem CID15347003
Molecular FormulaC19H15F3N2O4
Molecular Weight392.33 g/mol
Exact Mass392.10
IUPAC Nameethyl 2-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluoroanilino]acetate
SMILESCCOC(=O)CNc1ccc(-c2cc(=O)c3c(N)c(F)cc(F)c3o2)cc1F
InChIInChI=1S/C19H15F3N2O4/c1-2-27-16(26)8-24-13-4-3-9(5-10(13)20)15-7-14(25)17-18(23)11(21)6-12(22)19(17)28-15/h3-7,24H,2,8,23H2,1H3
InChIKeyUIDJEDSWUZCATG-UHFFFAOYSA-N
XLogP3.43
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluoroanilino]acetate?
The IUPAC name of ethyl 2-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluoroanilino]acetate (CID 15347003) is ethyl 2-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluoroanilino]acetate.
What is the SMILES notation for ethyl 2-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluoroanilino]acetate?
The canonical SMILES for ethyl 2-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluoroanilino]acetate is CCOC(=O)CNc1ccc(-c2cc(=O)c3c(N)c(F)cc(F)c3o2)cc1F.
What is the InChIKey of ethyl 2-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluoroanilino]acetate?
The InChIKey is UIDJEDSWUZCATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O4/c1-2-27-16(26)8-24-13-4-3-9(5-10(13)20)15-7-14(25)17-18(23)11(21)6-12(22)19(17)28-15/h3-7,24H,2,8,23H2,1H3.
What are the key properties of ethyl 2-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluoroanilino]acetate?
ethyl 2-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluoroanilino]acetate has a molecular weight of 392.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluoroanilino]acetate is sourced from PubChem (CID 15347003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).