ethyl 3-[(2-fluorophenyl)methylamino]-1H-pyrrole-2-carboxylate

C14H15FN2O2 — CID 67068486

IUPACethyl 3-[(2-fluorophenyl)methylamino]-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]ccc1NCc1ccccc1F
InChIInChI=1S/C14H15FN2O2/c1-2-19-14(18)13-12(7-8-16-13)17-9-10-5-3-4-6-11(10)15/h3-8,16-17H,2,9H2,1H3
InChIKeyCIPUMQLSWCDBIN-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.94
Rot. Bonds5

About ethyl 3-[(2-fluorophenyl)methylamino]-1H-pyrrole-2-carboxylate

ethyl 3-[(2-fluorophenyl)methylamino]-1H-pyrrole-2-carboxylate (PubChem CID 67068486) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is ethyl 3-[(2-fluorophenyl)methylamino]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(2-fluorophenyl)methylamino]-1H-pyrrole-2-carboxylate
PubChem CID67068486
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Nameethyl 3-[(2-fluorophenyl)methylamino]-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]ccc1NCc1ccccc1F
InChIInChI=1S/C14H15FN2O2/c1-2-19-14(18)13-12(7-8-16-13)17-9-10-5-3-4-6-11(10)15/h3-8,16-17H,2,9H2,1H3
InChIKeyCIPUMQLSWCDBIN-UHFFFAOYSA-N
XLogP2.94
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-fluorophenyl)methylamino]-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 3-[(2-fluorophenyl)methylamino]-1H-pyrrole-2-carboxylate (CID 67068486) is ethyl 3-[(2-fluorophenyl)methylamino]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3-[(2-fluorophenyl)methylamino]-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 3-[(2-fluorophenyl)methylamino]-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]ccc1NCc1ccccc1F.
What is the InChIKey of ethyl 3-[(2-fluorophenyl)methylamino]-1H-pyrrole-2-carboxylate?
The InChIKey is CIPUMQLSWCDBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-2-19-14(18)13-12(7-8-16-13)17-9-10-5-3-4-6-11(10)15/h3-8,16-17H,2,9H2,1H3.
What are the key properties of ethyl 3-[(2-fluorophenyl)methylamino]-1H-pyrrole-2-carboxylate?
ethyl 3-[(2-fluorophenyl)methylamino]-1H-pyrrole-2-carboxylate has a molecular weight of 262.28 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-fluorophenyl)methylamino]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 67068486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).