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

C16H12ClNO4 — CID 134156617

IUPACmethyl 4-[2-(4-chlorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClNO4/c1-21-16(20)13-8-15-12(6-7-22-15)18(13)9-14(19)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
InChIKeyQUHDHCRNZDLJLY-UHFFFAOYSA-N
MW317.73 g/mol
LogP3.56
Rot. Bonds4

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

methyl 4-[2-(4-chlorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 134156617) has the molecular formula C16H12ClNO4 and a molecular weight of 317.73 g/mol. Its IUPAC name is methyl 4-[2-(4-chlorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(4-chlorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID134156617
Molecular FormulaC16H12ClNO4
Molecular Weight317.73 g/mol
Exact Mass317.05
IUPAC Namemethyl 4-[2-(4-chlorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClNO4/c1-21-16(20)13-8-15-12(6-7-22-15)18(13)9-14(19)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
InChIKeyQUHDHCRNZDLJLY-UHFFFAOYSA-N
XLogP3.56
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-Methyl-cyclohexylcarbamoyl)-methyl]-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 656205
3-[5-(4-chlorophenyl)-1-(2-furylmethyl)-1H-pyrrol-2-yl]propanoic acid
CID 893940
4-(4-Fluoro-benzyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 1438681
Ethyl 4-[(2-chloro-6-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438713
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-5-furo[3,2-b]pyrrolecarboxylic acid methyl ester
CID 3236476
methyl 1-(pyridin-2-ylmethyl)-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
CID 3238867
Methyl 4-[2-(3,5-dimethylanilino)-2-oxoethyl]-2-methyl-4H-furo[3,2-B]pyrrole-5-carboxylate
CID 3239201
methyl 4-[1-(morpholin-4-ylcarbonyl)propyl]-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 3241399
methyl 2-methyl-4-{2-[methyl(phenyl)amino]-2-oxoethyl}-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 3243502

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-chlorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-[2-(4-chlorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (CID 134156617) is methyl 4-[2-(4-chlorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-[2-(4-chlorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-[2-(4-chlorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2occc2n1CC(=O)c1ccc(Cl)cc1.
What is the InChIKey of methyl 4-[2-(4-chlorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is QUHDHCRNZDLJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO4/c1-21-16(20)13-8-15-12(6-7-22-15)18(13)9-14(19)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3.
What are the key properties of methyl 4-[2-(4-chlorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
methyl 4-[2-(4-chlorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 317.73 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-chlorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 134156617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).