ethyl 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate

C17H14ClFN2O4 — CID 1438726

IUPACethyl 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occc2n1CC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H14ClFN2O4/c1-2-24-17(23)14-8-15-13(5-6-25-15)21(14)9-16(22)20-10-3-4-12(19)11(18)7-10/h3-8H,2,9H2,1H3,(H,20,22)
InChIKeyCZIJOXFELHDUHV-UHFFFAOYSA-N
MW364.76 g/mol
LogP3.84
Rot. Bonds5

About ethyl 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate

ethyl 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 1438726) has the molecular formula C17H14ClFN2O4 and a molecular weight of 364.76 g/mol. Its IUPAC name is ethyl 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID1438726
Molecular FormulaC17H14ClFN2O4
Molecular Weight364.76 g/mol
Exact Mass364.06
IUPAC Nameethyl 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occc2n1CC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H14ClFN2O4/c1-2-24-17(23)14-8-15-13(5-6-25-15)21(14)9-16(22)20-10-3-4-12(19)11(18)7-10/h3-8H,2,9H2,1H3,(H,20,22)
InChIKeyCZIJOXFELHDUHV-UHFFFAOYSA-N
XLogP3.84
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.76
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 20883211
ethyl 4-[2-(2-methoxyethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 3229399
ethyl 4-[2-(diethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438687
ethyl 6-[2-(4-chloroanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53004727
ethyl 4-[(2-amino-3-hydroxypropanoyl)oxymethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 50924461
ethyl 6-[2-(3-chloroanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53024486
ethyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylate
CID 23633120
N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide
CID 54811423
4-O-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7278720
ethyl 4-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-ethyl-2,3-dioxoquinoxaline-6-carboxylate
CID 39907981
ethyl 4-[[3-(3-chloro-4-fluoroanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108950255
ethyl 4-[2-[(2R)-2-amino-3-methylbutoxy]ethoxymethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 58134149

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (CID 1438726) is ethyl 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2occc2n1CC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of ethyl 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is CZIJOXFELHDUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O4/c1-2-24-17(23)14-8-15-13(5-6-25-15)21(14)9-16(22)20-10-3-4-12(19)11(18)7-10/h3-8H,2,9H2,1H3,(H,20,22).
What are the key properties of ethyl 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
ethyl 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 364.76 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 1438726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).