ethyl 3-[[2-(4-fluorophenyl)acetyl]amino]-1H-pyrrole-2-carboxylate

C15H15FN2O3 — CID 67052946

IUPACethyl 3-[[2-(4-fluorophenyl)acetyl]amino]-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]ccc1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H15FN2O3/c1-2-21-15(20)14-12(7-8-17-14)18-13(19)9-10-3-5-11(16)6-4-10/h3-8,17H,2,9H2,1H3,(H,18,19)
InChIKeyTYCDEISKGMAPED-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.51
Rot. Bonds5

About ethyl 3-[[2-(4-fluorophenyl)acetyl]amino]-1H-pyrrole-2-carboxylate

ethyl 3-[[2-(4-fluorophenyl)acetyl]amino]-1H-pyrrole-2-carboxylate (PubChem CID 67052946) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is ethyl 3-[[2-(4-fluorophenyl)acetyl]amino]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[2-(4-fluorophenyl)acetyl]amino]-1H-pyrrole-2-carboxylate
PubChem CID67052946
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Nameethyl 3-[[2-(4-fluorophenyl)acetyl]amino]-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]ccc1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H15FN2O3/c1-2-21-15(20)14-12(7-8-17-14)18-13(19)9-10-3-5-11(16)6-4-10/h3-8,17H,2,9H2,1H3,(H,18,19)
InChIKeyTYCDEISKGMAPED-UHFFFAOYSA-N
XLogP2.51
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(4-fluorophenyl)acetyl]amino]-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 3-[[2-(4-fluorophenyl)acetyl]amino]-1H-pyrrole-2-carboxylate (CID 67052946) is ethyl 3-[[2-(4-fluorophenyl)acetyl]amino]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3-[[2-(4-fluorophenyl)acetyl]amino]-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 3-[[2-(4-fluorophenyl)acetyl]amino]-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]ccc1NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of ethyl 3-[[2-(4-fluorophenyl)acetyl]amino]-1H-pyrrole-2-carboxylate?
The InChIKey is TYCDEISKGMAPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-2-21-15(20)14-12(7-8-17-14)18-13(19)9-10-3-5-11(16)6-4-10/h3-8,17H,2,9H2,1H3,(H,18,19).
What are the key properties of ethyl 3-[[2-(4-fluorophenyl)acetyl]amino]-1H-pyrrole-2-carboxylate?
ethyl 3-[[2-(4-fluorophenyl)acetyl]amino]-1H-pyrrole-2-carboxylate has a molecular weight of 290.29 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(4-fluorophenyl)acetyl]amino]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 67052946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).