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

C13H11FN2O3 — CID 771844

IUPACN-[2-(2-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)Nc1ccccc1F
InChIInChI=1S/C13H11FN2O3/c14-9-4-1-2-5-10(9)16-12(17)8-15-13(18)11-6-3-7-19-11/h1-7H,8H2,(H,15,18)(H,16,17)
InChIKeyMLMIMXXWAFAAMA-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.79
Rot. Bonds4

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

N-[2-(2-fluoroanilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 771844) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is N-[2-(2-fluoroanilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
PubChem CID771844
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC NameN-[2-(2-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)Nc1ccccc1F
InChIInChI=1S/C13H11FN2O3/c14-9-4-1-2-5-10(9)16-12(17)8-15-13(18)11-6-3-7-19-11/h1-7H,8H2,(H,15,18)(H,16,17)
InChIKeyMLMIMXXWAFAAMA-UHFFFAOYSA-N
XLogP1.79
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880328
N-[2-(2,6-difluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 110698062
N-[2-(2-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 35555182
N-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 31194170
2-(3-bromophenyl)-N-[2-(2-fluoroanilino)-2-oxoethyl]acetamide
CID 112997653
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 7535615
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8875399
[1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 42979813
N-[2-[(2-aminoacetyl)amino]phenyl]furan-2-carboxamide
CID 39184130
N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide
CID 2524355
N-[2-oxo-2-(phenylmethoxyamino)ethyl]furan-2-carboxamide
CID 9227365
N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]furan-2-carboxamide
CID 9293667

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoroanilino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(2-fluoroanilino)-2-oxoethyl]furan-2-carboxamide (CID 771844) is N-[2-(2-fluoroanilino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluoroanilino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2-fluoroanilino)-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)Nc1ccccc1F.
What is the InChIKey of N-[2-(2-fluoroanilino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is MLMIMXXWAFAAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c14-9-4-1-2-5-10(9)16-12(17)8-15-13(18)11-6-3-7-19-11/h1-7H,8H2,(H,15,18)(H,16,17).
What are the key properties of N-[2-(2-fluoroanilino)-2-oxoethyl]furan-2-carboxamide?
N-[2-(2-fluoroanilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 262.24 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoroanilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 771844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).