N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide

C21H19FN2O4 — CID 46407349

IUPACN-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESO=C(COc1cccc(NC(=O)c2ccco2)c1)NCCc1ccc(F)cc1
InChIInChI=1S/C21H19FN2O4/c22-16-8-6-15(7-9-16)10-11-23-20(25)14-28-18-4-1-3-17(13-18)24-21(26)19-5-2-12-27-19/h1-9,12-13H,10-11,14H2,(H,23,25)(H,24,26)
InChIKeyJLGCYLMATQNONL-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.41
Rot. Bonds8

About N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide

N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide (PubChem CID 46407349) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
PubChem CID46407349
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC NameN-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESO=C(COc1cccc(NC(=O)c2ccco2)c1)NCCc1ccc(F)cc1
InChIInChI=1S/C21H19FN2O4/c22-16-8-6-15(7-9-16)10-11-23-20(25)14-28-18-4-1-3-17(13-18)24-21(26)19-5-2-12-27-19/h1-9,12-13H,10-11,14H2,(H,23,25)(H,24,26)
InChIKeyJLGCYLMATQNONL-UHFFFAOYSA-N
XLogP3.41
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
N-[3-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46474685
N-[3-[2-[3-(furan-2-ylmethoxy)propylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 86930220
N-[3-[2-oxo-2-[(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)amino]ethoxy]phenyl]furan-2-carboxamide
CID 51134943
N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide
CID 55855668
N-[3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide
CID 55616650
N-[3-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119392955
N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119642129
N-[3-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 56796448
N-[3-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethoxy]phenyl]furan-2-carboxamide
CID 46575958
N-[3-[2-oxo-2-(2-piperidin-3-ylethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119557618
N-[3-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethoxy]phenyl]furan-2-carboxamide
CID 46408775

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide (CID 46407349) is N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide is O=C(COc1cccc(NC(=O)c2ccco2)c1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The InChIKey is JLGCYLMATQNONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c22-16-8-6-15(7-9-16)10-11-23-20(25)14-28-18-4-1-3-17(13-18)24-21(26)19-5-2-12-27-19/h1-9,12-13H,10-11,14H2,(H,23,25)(H,24,26).
What are the key properties of N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46407349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).