[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

C15H12FN3O5 — CID 8786038

IUPAC[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)NC(=O)Nc1ccccc1F
InChIInChI=1S/C15H12FN3O5/c16-10-5-1-2-6-11(10)18-15(23)19-12(20)8-24-14(22)9-4-3-7-17-13(9)21/h1-7H,8H2,(H,17,21)(H2,18,19,20,23)
InChIKeyCJKPBVAJTHOSRY-UHFFFAOYSA-N
MW333.28 g/mol
LogP1.02
Rot. Bonds4

About [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 8786038) has the molecular formula C15H12FN3O5 and a molecular weight of 333.28 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID8786038
Molecular FormulaC15H12FN3O5
Molecular Weight333.28 g/mol
Exact Mass333.08
IUPAC Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)NC(=O)Nc1ccccc1F
InChIInChI=1S/C15H12FN3O5/c16-10-5-1-2-6-11(10)18-15(23)19-12(20)8-24-14(22)9-4-3-7-17-13(9)21/h1-7H,8H2,(H,17,21)(H2,18,19,20,23)
InChIKeyCJKPBVAJTHOSRY-UHFFFAOYSA-N
XLogP1.02
TPSA117.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 8786038) is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is O=C(COC(=O)c1ccc[nH]c1=O)NC(=O)Nc1ccccc1F.
What is the InChIKey of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is CJKPBVAJTHOSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O5/c16-10-5-1-2-6-11(10)18-15(23)19-12(20)8-24-14(22)9-4-3-7-17-13(9)21/h1-7H,8H2,(H,17,21)(H2,18,19,20,23).
What are the key properties of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 333.28 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 8786038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).