[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

C15H13FN2O4 — CID 2411097

IUPAC[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2ccc[nH]c2=O)cc1F
InChIInChI=1S/C15H13FN2O4/c1-9-4-5-10(7-12(9)16)18-13(19)8-22-15(21)11-3-2-6-17-14(11)20/h2-7H,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyNWWBVGRMEGFEEC-UHFFFAOYSA-N
MW304.28 g/mol
LogP1.62
Rot. Bonds4

About [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 2411097) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID2411097
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2ccc[nH]c2=O)cc1F
InChIInChI=1S/C15H13FN2O4/c1-9-4-5-10(7-12(9)16)18-13(19)8-22-15(21)11-3-2-6-17-14(11)20/h2-7H,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyNWWBVGRMEGFEEC-UHFFFAOYSA-N
XLogP1.62
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-tert-butylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2350817
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786352
[2-(4-iodoanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2379470
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786611
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 7247656
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenoxybenzoate
CID 2454502
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2419201
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2584358
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2423105
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2570088
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786024
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-methylbenzoate
CID 2562809

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 2411097) is [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is Cc1ccc(NC(=O)COC(=O)c2ccc[nH]c2=O)cc1F.
What is the InChIKey of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is NWWBVGRMEGFEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c1-9-4-5-10(7-12(9)16)18-13(19)8-22-15(21)11-3-2-6-17-14(11)20/h2-7H,8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 304.28 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 2411097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).