ethyl N-[1-[(2-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate

C15H15FN2O3 — CID 45106459

IUPACethyl N-[1-[(2-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1cccn(Cc2ccccc2F)c1=O
InChIInChI=1S/C15H15FN2O3/c1-2-21-15(20)17-13-8-5-9-18(14(13)19)10-11-6-3-4-7-12(11)16/h3-9H,2,10H2,1H3,(H,17,20)
InChIKeyOXIMTWIISWWIDT-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.60
Rot. Bonds4

About ethyl N-[1-[(2-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate

ethyl N-[1-[(2-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate (PubChem CID 45106459) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is ethyl N-[1-[(2-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[(2-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate
PubChem CID45106459
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Nameethyl N-[1-[(2-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1cccn(Cc2ccccc2F)c1=O
InChIInChI=1S/C15H15FN2O3/c1-2-21-15(20)17-13-8-5-9-18(14(13)19)10-11-6-3-4-7-12(11)16/h3-9H,2,10H2,1H3,(H,17,20)
InChIKeyOXIMTWIISWWIDT-UHFFFAOYSA-N
XLogP2.60
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[(2-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[1-[(2-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate (CID 45106459) is ethyl N-[1-[(2-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[1-[(2-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[1-[(2-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate is CCOC(=O)Nc1cccn(Cc2ccccc2F)c1=O.
What is the InChIKey of ethyl N-[1-[(2-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate?
The InChIKey is OXIMTWIISWWIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-2-21-15(20)17-13-8-5-9-18(14(13)19)10-11-6-3-4-7-12(11)16/h3-9H,2,10H2,1H3,(H,17,20).
What are the key properties of ethyl N-[1-[(2-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate?
ethyl N-[1-[(2-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate has a molecular weight of 290.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[(2-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 45106459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).