methyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate

C17H15FN2O4 — CID 66881176

IUPACmethyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C17H15FN2O4/c1-24-17(23)12-9-11(12)16(22)19-14-6-5-10(8-13(14)18)20-7-3-2-4-15(20)21/h2-8,11-12H,9H2,1H3,(H,19,22)
InChIKeyZSBHDYVAOVNYPM-UHFFFAOYSA-N
MW330.31 g/mol
LogP1.72
Rot. Bonds4

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

methyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate (PubChem CID 66881176) has the molecular formula C17H15FN2O4 and a molecular weight of 330.31 g/mol. Its IUPAC name is methyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate
PubChem CID66881176
Molecular FormulaC17H15FN2O4
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC Namemethyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C17H15FN2O4/c1-24-17(23)12-9-11(12)16(22)19-14-6-5-10(8-13(14)18)20-7-3-2-4-15(20)21/h2-8,11-12H,9H2,1H3,(H,19,22)
InChIKeyZSBHDYVAOVNYPM-UHFFFAOYSA-N
XLogP1.72
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate (CID 66881176) is methyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate is COC(=O)C1CC1C(=O)Nc1ccc(-n2ccccc2=O)cc1F.
What is the InChIKey of methyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate?
The InChIKey is ZSBHDYVAOVNYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-24-17(23)12-9-11(12)16(22)19-14-6-5-10(8-13(14)18)20-7-3-2-4-15(20)21/h2-8,11-12H,9H2,1H3,(H,19,22).
What are the key properties of methyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate?
methyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate has a molecular weight of 330.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 66881176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).