[(1R)-1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate

C19H19FN2O5 — CID 51687847

IUPAC[(1R)-1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCOCCNC(=O)[C@H](OC(=O)c1cc2occc2n1C)c1ccccc1F
InChIInChI=1S/C19H19FN2O5/c1-22-14-7-9-26-16(14)11-15(22)19(24)27-17(18(23)21-8-10-25-2)12-5-3-4-6-13(12)20/h3-7,9,11,17H,8,10H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyHFOQKNGWEJXVAD-QGZVFWFLSA-N
MW374.37 g/mol
LogP2.57
Rot. Bonds7

About [(1R)-1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate

[(1R)-1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate (PubChem CID 51687847) has the molecular formula C19H19FN2O5 and a molecular weight of 374.37 g/mol. Its IUPAC name is [(1R)-1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name[(1R)-1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
PubChem CID51687847
Molecular FormulaC19H19FN2O5
Molecular Weight374.37 g/mol
Exact Mass374.13
IUPAC Name[(1R)-1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCOCCNC(=O)[C@H](OC(=O)c1cc2occc2n1C)c1ccccc1F
InChIInChI=1S/C19H19FN2O5/c1-22-14-7-9-26-16(14)11-15(22)19(24)27-17(18(23)21-8-10-25-2)12-5-3-4-6-13(12)20/h3-7,9,11,17H,8,10H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyHFOQKNGWEJXVAD-QGZVFWFLSA-N
XLogP2.57
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 43817614
[(1S)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 51687842
[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 51687837
methyl 4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
CID 20883200
[2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate
CID 24792279
methyl (2R)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
CID 51718452
ethyl 4-[2-(2-methoxyethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 3229399
4-(cyclobutylmethyl)-N-(3-methoxypropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42792645
3-[1-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 112700216
4-[(2-fluorophenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide
CID 51720308
methyl 6-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate
CID 162683698
N-(3-methoxypropyl)-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
CID 20893916

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of [(1R)-1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate (CID 51687847) is [(1R)-1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for [(1R)-1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for [(1R)-1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate is COCCNC(=O)[C@H](OC(=O)c1cc2occc2n1C)c1ccccc1F.
What is the InChIKey of [(1R)-1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The InChIKey is HFOQKNGWEJXVAD-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19FN2O5/c1-22-14-7-9-26-16(14)11-15(22)19(24)27-17(18(23)21-8-10-25-2)12-5-3-4-6-13(12)20/h3-7,9,11,17H,8,10H2,1-2H3,(H,21,23)/t17-/m1/s1.
What are the key properties of [(1R)-1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
[(1R)-1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate has a molecular weight of 374.37 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 51687847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).