[4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone

C19H19FN2O2 — CID 42791194

IUPAC[4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cc2c(cc(C(=O)N3CCCC3)n2Cc2ccccc2F)o1
InChIInChI=1S/C19H19FN2O2/c1-13-10-16-18(24-13)11-17(19(23)21-8-4-5-9-21)22(16)12-14-6-2-3-7-15(14)20/h2-3,6-7,10-11H,4-5,8-9,12H2,1H3
InChIKeyVEXNPCDARDSTRI-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.97
Rot. Bonds3

About [4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone

[4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 42791194) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is [4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID42791194
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name[4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cc2c(cc(C(=O)N3CCCC3)n2Cc2ccccc2F)o1
InChIInChI=1S/C19H19FN2O2/c1-13-10-16-18(24-13)11-17(19(23)21-8-4-5-9-21)22(16)12-14-6-2-3-7-15(14)20/h2-3,6-7,10-11H,4-5,8-9,12H2,1H3
InChIKeyVEXNPCDARDSTRI-UHFFFAOYSA-N
XLogP3.97
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-[(2,4-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone
CID 42791602
[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42791656
ethyl 4-[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
CID 42791658
[2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42791225
[2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone
CID 7231179
[2-methyl-4-[(2-methylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42791440
4-[(2-fluorophenyl)methyl]-2-methyl-N-(pyridin-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791219
2-methyl-4-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791446
ethyl 1-(4-benzyl-2-methylfuro[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxylate
CID 3553290
(4-benzyl-2-methylfuro[3,2-b]pyrrol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 42791174
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-[(2-fluorophenyl)methyl]indol-2-yl]methanone
CID 52528847
(4-benzylpiperazin-1-yl)-[2-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrol-5-yl]methanone
CID 42791548

Frequently Asked Questions

What is the IUPAC name of [4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone (CID 42791194) is [4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone is Cc1cc2c(cc(C(=O)N3CCCC3)n2Cc2ccccc2F)o1.
What is the InChIKey of [4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VEXNPCDARDSTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-13-10-16-18(24-13)11-17(19(23)21-8-4-5-9-21)22(16)12-14-6-2-3-7-15(14)20/h2-3,6-7,10-11H,4-5,8-9,12H2,1H3.
What are the key properties of [4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
[4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 326.37 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42791194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).