N-[2-(2-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide

C14H13FN2O3 — CID 35555182

IUPACN-[2-(2-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1F)C(=O)c1ccco1
InChIInChI=1S/C14H13FN2O3/c1-17(14(19)12-7-4-8-20-12)9-13(18)16-11-6-3-2-5-10(11)15/h2-8H,9H2,1H3,(H,16,18)
InChIKeySTFAYXLGRZDHNQ-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.13
Rot. Bonds4

About N-[2-(2-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide

N-[2-(2-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide (PubChem CID 35555182) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is N-[2-(2-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
PubChem CID35555182
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC NameN-[2-(2-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1F)C(=O)c1ccco1
InChIInChI=1S/C14H13FN2O3/c1-17(14(19)12-7-4-8-20-12)9-13(18)16-11-6-3-2-5-10(11)15/h2-8H,9H2,1H3,(H,16,18)
InChIKeySTFAYXLGRZDHNQ-UHFFFAOYSA-N
XLogP2.13
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 26897595
N-[2-[2-(dimethylsulfamoyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55984585
N-methyl-N-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]furan-2-carboxamide
CID 35743644
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 35563379
N-[2-(2-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 771844
N-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 35713339
N-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55583339
3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 43170664
N-[2-(ethoxyamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 47149757
methyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 43407344
2-[furan-2-carbonyl(methyl)amino]acetate
CID 6943452
[2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880328

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[2-(2-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide (CID 35555182) is N-[2-(2-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-(2-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide is CN(CC(=O)Nc1ccccc1F)C(=O)c1ccco1.
What is the InChIKey of N-[2-(2-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The InChIKey is STFAYXLGRZDHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-17(14(19)12-7-4-8-20-12)9-13(18)16-11-6-3-2-5-10(11)15/h2-8H,9H2,1H3,(H,16,18).
What are the key properties of N-[2-(2-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
N-[2-(2-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide has a molecular weight of 276.27 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 35555182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).