methyl 4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate

C15H12FNO3 — CID 20883200

IUPACmethyl 4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1Cc1ccccc1F
InChIInChI=1S/C15H12FNO3/c1-19-15(18)13-8-14-12(6-7-20-14)17(13)9-10-4-2-3-5-11(10)16/h2-8H,9H2,1H3
InChIKeyGWNGDIFDUMGOOQ-UHFFFAOYSA-N
MW273.26 g/mol
LogP3.21
Rot. Bonds3

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

methyl 4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 20883200) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is methyl 4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID20883200
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Namemethyl 4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1Cc1ccccc1F
InChIInChI=1S/C15H12FNO3/c1-19-15(18)13-8-14-12(6-7-20-14)17(13)9-10-4-2-3-5-11(10)16/h2-8H,9H2,1H3
InChIKeyGWNGDIFDUMGOOQ-UHFFFAOYSA-N
XLogP3.21
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
CID 51718452
methyl (2S)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
CID 51718453
4-[(2-fluorophenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide
CID 51720308
4-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 45491439
4-[(2-fluorophenyl)methyl]-N-pyridin-3-ylfuro[3,2-b]pyrrole-5-carboxamide
CID 45495719
methyl 4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 20883388
[4-[(2,3-difluorophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 7112965
4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42790861
1-(4-ethylfuro[3,2-b]pyrrole-5-carbonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 20883654
N-butan-2-yl-4-[(2-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 75768838
methyl 4-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 20883209
4-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791069

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate (CID 20883200) is methyl 4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2occc2n1Cc1ccccc1F.
What is the InChIKey of methyl 4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is GWNGDIFDUMGOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c1-19-15(18)13-8-14-12(6-7-20-14)17(13)9-10-4-2-3-5-11(10)16/h2-8H,9H2,1H3.
What are the key properties of methyl 4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate?
methyl 4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 273.26 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 20883200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).