N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-ethoxypyridine-3-carboxamide

C16H15F2N3O3 — CID 7930200

IUPACN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H15F2N3O3/c1-2-24-16-11(4-3-7-19-16)15(23)20-9-14(22)21-10-5-6-12(17)13(18)8-10/h3-8H,2,9H2,1H3,(H,20,23)(H,21,22)
InChIKeyCECFMRXOWFINKI-UHFFFAOYSA-N
MW335.31 g/mol
LogP2.13
Rot. Bonds6

About N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-ethoxypyridine-3-carboxamide

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-ethoxypyridine-3-carboxamide (PubChem CID 7930200) has the molecular formula C16H15F2N3O3 and a molecular weight of 335.31 g/mol. Its IUPAC name is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-ethoxypyridine-3-carboxamide
PubChem CID7930200
Molecular FormulaC16H15F2N3O3
Molecular Weight335.31 g/mol
Exact Mass335.11
IUPAC NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H15F2N3O3/c1-2-24-16-11(4-3-7-19-16)15(23)20-9-14(22)21-10-5-6-12(17)13(18)8-10/h3-8H,2,9H2,1H3,(H,20,23)(H,21,22)
InChIKeyCECFMRXOWFINKI-UHFFFAOYSA-N
XLogP2.13
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
CID 17395084
methyl 2-[(2-ethoxypyridine-3-carbonyl)amino]acetate
CID 27682250
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethoxybenzamide
CID 9165970
ethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 113002353
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide
CID 113002351
2-ethoxy-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 2096181
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 38032304
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 42989993
methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 47129041
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497885
2-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 2468311
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-ethoxypyridine-3-carboxamide
CID 8833006

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-ethoxypyridine-3-carboxamide (CID 7930200) is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-ethoxypyridine-3-carboxamide?
The InChIKey is CECFMRXOWFINKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O3/c1-2-24-16-11(4-3-7-19-16)15(23)20-9-14(22)21-10-5-6-12(17)13(18)8-10/h3-8H,2,9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-ethoxypyridine-3-carboxamide?
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-ethoxypyridine-3-carboxamide has a molecular weight of 335.31 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 7930200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).