ethyl 2-[5-chloro-2-oxo-3-(phenylcarbamoyl)-1-pyridinyl]acetate

C16H15ClN2O4 — CID 1486139

IUPACethyl 2-[5-chloro-2-oxo-3-(phenylcarbamoyl)-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1cc(Cl)cc(C(=O)Nc2ccccc2)c1=O
InChIInChI=1S/C16H15ClN2O4/c1-2-23-14(20)10-19-9-11(17)8-13(16(19)22)15(21)18-12-6-4-3-5-7-12/h3-9H,2,10H2,1H3,(H,18,21)
InChIKeyITOSFUFVYDLYOR-UHFFFAOYSA-N
MW334.76 g/mol
LogP2.32
Rot. Bonds5

About ethyl 2-[5-chloro-2-oxo-3-(phenylcarbamoyl)-1-pyridinyl]acetate

ethyl 2-[5-chloro-2-oxo-3-(phenylcarbamoyl)-1-pyridinyl]acetate (PubChem CID 1486139) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is ethyl 2-[5-chloro-2-oxo-3-(phenylcarbamoyl)-1-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-chloro-2-oxo-3-(phenylcarbamoyl)-1-pyridinyl]acetate
PubChem CID1486139
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Nameethyl 2-[5-chloro-2-oxo-3-(phenylcarbamoyl)-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1cc(Cl)cc(C(=O)Nc2ccccc2)c1=O
InChIInChI=1S/C16H15ClN2O4/c1-2-23-14(20)10-19-9-11(17)8-13(16(19)22)15(21)18-12-6-4-3-5-7-12/h3-9H,2,10H2,1H3,(H,18,21)
InChIKeyITOSFUFVYDLYOR-UHFFFAOYSA-N
XLogP2.32
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-chloro-2-oxo-3-(phenylcarbamoyl)-1-pyridinyl]acetate?
The IUPAC name of ethyl 2-[5-chloro-2-oxo-3-(phenylcarbamoyl)-1-pyridinyl]acetate (CID 1486139) is ethyl 2-[5-chloro-2-oxo-3-(phenylcarbamoyl)-1-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[5-chloro-2-oxo-3-(phenylcarbamoyl)-1-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[5-chloro-2-oxo-3-(phenylcarbamoyl)-1-pyridinyl]acetate is CCOC(=O)Cn1cc(Cl)cc(C(=O)Nc2ccccc2)c1=O.
What is the InChIKey of ethyl 2-[5-chloro-2-oxo-3-(phenylcarbamoyl)-1-pyridinyl]acetate?
The InChIKey is ITOSFUFVYDLYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-2-23-14(20)10-19-9-11(17)8-13(16(19)22)15(21)18-12-6-4-3-5-7-12/h3-9H,2,10H2,1H3,(H,18,21).
What are the key properties of ethyl 2-[5-chloro-2-oxo-3-(phenylcarbamoyl)-1-pyridinyl]acetate?
ethyl 2-[5-chloro-2-oxo-3-(phenylcarbamoyl)-1-pyridinyl]acetate has a molecular weight of 334.76 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-chloro-2-oxo-3-(phenylcarbamoyl)-1-pyridinyl]acetate is sourced from PubChem (CID 1486139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).