methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate

C17H15FN2O4 — CID 20883211

IUPACmethyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1CC(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C17H15FN2O4/c1-10-3-4-11(7-12(10)18)19-16(21)9-20-13-5-6-24-15(13)8-14(20)17(22)23-2/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyRSOBHYZMTFNJAB-UHFFFAOYSA-N
MW330.32 g/mol
LogP3.11
Rot. Bonds4

About methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate

methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 20883211) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID20883211
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Namemethyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1CC(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C17H15FN2O4/c1-10-3-4-11(7-12(10)18)19-16(21)9-20-13-5-6-24-15(13)8-14(20)17(22)23-2/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyRSOBHYZMTFNJAB-UHFFFAOYSA-N
XLogP3.11
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (CID 20883211) is methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2occc2n1CC(=O)Nc1ccc(C)c(F)c1.
What is the InChIKey of methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is RSOBHYZMTFNJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-10-3-4-11(7-12(10)18)19-16(21)9-20-13-5-6-24-15(13)8-14(20)17(22)23-2/h3-8H,9H2,1-2H3,(H,19,21).
What are the key properties of methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 330.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 20883211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).