ethyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylate

C19H19FN2O5 — CID 66882355

IUPACethyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(CO)C1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C19H19FN2O5/c1-2-27-19(26)17-12(10-23)16(17)18(25)21-14-7-6-11(9-13(14)20)22-8-4-3-5-15(22)24/h3-9,12,16-17,23H,2,10H2,1H3,(H,21,25)
InChIKeyGKHKXELOHGIKQF-UHFFFAOYSA-N
MW374.37 g/mol
LogP1.33
Rot. Bonds6

About ethyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylate

ethyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylate (PubChem CID 66882355) has the molecular formula C19H19FN2O5 and a molecular weight of 374.37 g/mol. Its IUPAC name is ethyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylate
PubChem CID66882355
Molecular FormulaC19H19FN2O5
Molecular Weight374.37 g/mol
Exact Mass374.13
IUPAC Nameethyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(CO)C1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C19H19FN2O5/c1-2-27-19(26)17-12(10-23)16(17)18(25)21-14-7-6-11(9-13(14)20)22-8-4-3-5-15(22)24/h3-9,12,16-17,23H,2,10H2,1H3,(H,21,25)
InChIKeyGKHKXELOHGIKQF-UHFFFAOYSA-N
XLogP1.33
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylate (CID 66882355) is ethyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylate is CCOC(=O)C1C(CO)C1C(=O)Nc1ccc(-n2ccccc2=O)cc1F.
What is the InChIKey of ethyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylate?
The InChIKey is GKHKXELOHGIKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O5/c1-2-27-19(26)17-12(10-23)16(17)18(25)21-14-7-6-11(9-13(14)20)22-8-4-3-5-15(22)24/h3-9,12,16-17,23H,2,10H2,1H3,(H,21,25).
What are the key properties of ethyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylate?
ethyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylate has a molecular weight of 374.37 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 66882355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).