2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid

C17H15FN2O4 — CID 66882264

IUPAC2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid
SMILESCC1(C(=O)O)CC1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C17H15FN2O4/c1-17(16(23)24)9-11(17)15(22)19-13-6-5-10(8-12(13)18)20-7-3-2-4-14(20)21/h2-8,11H,9H2,1H3,(H,19,22)(H,23,24)
InChIKeyHBOULHAACUOGFO-UHFFFAOYSA-N
MW330.32 g/mol
LogP2.03
Rot. Bonds4

About 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid

2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid (PubChem CID 66882264) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid
PubChem CID66882264
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Name2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid
SMILESCC1(C(=O)O)CC1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C17H15FN2O4/c1-17(16(23)24)9-11(17)15(22)19-13-6-5-10(8-12(13)18)20-7-3-2-4-14(20)21/h2-8,11H,9H2,1H3,(H,19,22)(H,23,24)
InChIKeyHBOULHAACUOGFO-UHFFFAOYSA-N
XLogP2.03
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid (CID 66882264) is 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid is CC1(C(=O)O)CC1C(=O)Nc1ccc(-n2ccccc2=O)cc1F.
What is the InChIKey of 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid?
The InChIKey is HBOULHAACUOGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-17(16(23)24)9-11(17)15(22)19-13-6-5-10(8-12(13)18)20-7-3-2-4-14(20)21/h2-8,11H,9H2,1H3,(H,19,22)(H,23,24).
What are the key properties of 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid?
2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid has a molecular weight of 330.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 66882264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).