[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate

C17H15FN2O4 — CID 24981336

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCn1c(C(=O)OCC(=O)NCc2ccc(F)cc2)cc2occc21
InChIInChI=1S/C17H15FN2O4/c1-20-13-6-7-23-15(13)8-14(20)17(22)24-10-16(21)19-9-11-2-4-12(18)5-3-11/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyGTPSVUQHURLYDQ-UHFFFAOYSA-N
MW330.32 g/mol
LogP2.38
Rot. Bonds5

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate (PubChem CID 24981336) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
PubChem CID24981336
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCn1c(C(=O)OCC(=O)NCc2ccc(F)cc2)cc2occc21
InChIInChI=1S/C17H15FN2O4/c1-20-13-6-7-23-15(13)8-14(20)17(22)24-10-16(21)19-9-11-2-4-12(18)5-3-11/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyGTPSVUQHURLYDQ-UHFFFAOYSA-N
XLogP2.38
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate (CID 24981336) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate is Cn1c(C(=O)OCC(=O)NCc2ccc(F)cc2)cc2occc21.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The InChIKey is GTPSVUQHURLYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-20-13-6-7-23-15(13)8-14(20)17(22)24-10-16(21)19-9-11-2-4-12(18)5-3-11/h2-8H,9-10H2,1H3,(H,19,21).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate has a molecular weight of 330.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 24981336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).