ethyl 4-[(2-chloro-6-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate

C16H13ClFNO3 — CID 1438713

IUPACethyl 4-[(2-chloro-6-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occc2n1Cc1c(F)cccc1Cl
InChIInChI=1S/C16H13ClFNO3/c1-2-21-16(20)14-8-15-13(6-7-22-15)19(14)9-10-11(17)4-3-5-12(10)18/h3-8H,2,9H2,1H3
InChIKeyZFRYYNOTWVWEKQ-UHFFFAOYSA-N
MW321.74 g/mol
LogP4.25
Rot. Bonds4

About ethyl 4-[(2-chloro-6-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate

ethyl 4-[(2-chloro-6-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 1438713) has the molecular formula C16H13ClFNO3 and a molecular weight of 321.74 g/mol. Its IUPAC name is ethyl 4-[(2-chloro-6-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-chloro-6-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID1438713
Molecular FormulaC16H13ClFNO3
Molecular Weight321.74 g/mol
Exact Mass321.06
IUPAC Nameethyl 4-[(2-chloro-6-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occc2n1Cc1c(F)cccc1Cl
InChIInChI=1S/C16H13ClFNO3/c1-2-21-16(20)14-8-15-13(6-7-22-15)19(14)9-10-11(17)4-3-5-12(10)18/h3-8H,2,9H2,1H3
InChIKeyZFRYYNOTWVWEKQ-UHFFFAOYSA-N
XLogP4.25
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 16011014
Methyl 4-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-YL]methyl}-4H-furo[3,2-B]pyrrole-5-carboxylate
CID 16011163
4-Cyclohexyloxycarbonylmethyl-2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 652843
4-(4-Fluoro-benzyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 1438681
methyl 2-methyl-4-{2-[methyl(phenyl)amino]-2-oxoethyl}-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 3243502
Methyl 4-[(4-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
CID 4048817
methyl 4-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 15944686
methyl 4-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 15944836
methyl 4-(3-methylbenzyl)-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 16011036
Methyl 4-[2-(3-ethylanilino)-2-oxoethyl]-4H-furo[3,2-B]pyrrole-5-carboxylate
CID 16011039
Methyl 4-(2,5-dimethylbenzyl)-2-methyl-4H-furo[3,2-B]pyrrole-5-carboxylate
CID 16011071
Methyl 4-[(3-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 16011072

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-chloro-6-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-[(2-chloro-6-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate (CID 1438713) is ethyl 4-[(2-chloro-6-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-[(2-chloro-6-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-[(2-chloro-6-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2occc2n1Cc1c(F)cccc1Cl.
What is the InChIKey of ethyl 4-[(2-chloro-6-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is ZFRYYNOTWVWEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO3/c1-2-21-16(20)14-8-15-13(6-7-22-15)19(14)9-10-11(17)4-3-5-12(10)18/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 4-[(2-chloro-6-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate?
ethyl 4-[(2-chloro-6-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 321.74 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-chloro-6-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 1438713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).