[2-(2,5-difluoroanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium

C18H17F2N2O3+ — CID 8841313

IUPAC[2-(2,5-difluoroanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
SMILESO=C(C[NH+](Cc1ccco1)Cc1ccco1)Nc1cc(F)ccc1F
InChIInChI=1S/C18H16F2N2O3/c19-13-5-6-16(20)17(9-13)21-18(23)12-22(10-14-3-1-7-24-14)11-15-4-2-8-25-15/h1-9H,10-12H2,(H,21,23)/p+1
InChIKeyLHAVUUVWKXGWMX-UHFFFAOYSA-O
MW347.34 g/mol
LogP2.37
Rot. Bonds7

About [2-(2,5-difluoroanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium

[2-(2,5-difluoroanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium (PubChem CID 8841313) has the molecular formula C18H17F2N2O3+ and a molecular weight of 347.34 g/mol. Its IUPAC name is [2-(2,5-difluoroanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(2,5-difluoroanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
PubChem CID8841313
Molecular FormulaC18H17F2N2O3+
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name[2-(2,5-difluoroanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
SMILESO=C(C[NH+](Cc1ccco1)Cc1ccco1)Nc1cc(F)ccc1F
InChIInChI=1S/C18H16F2N2O3/c19-13-5-6-16(20)17(9-13)21-18(23)12-22(10-14-3-1-7-24-14)11-15-4-2-8-25-15/h1-9H,10-12H2,(H,21,23)/p+1
InChIKeyLHAVUUVWKXGWMX-UHFFFAOYSA-O
XLogP2.37
TPSA59.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780738
bis(furan-2-ylmethyl)-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]azanium
CID 8840703
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8678016
N-(2,5-difluorophenyl)furan-2-carboxamide
CID 2711385
N-(2,5-difluorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8919204
[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8841120
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8841411
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9333255
furan-2-ylmethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8677699
[2-(4-ethoxyanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8841127
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8841698
N-(2,5-difluorophenyl)-3-hydroxypropanamide
CID 68503422

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluoroanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium?
The IUPAC name of [2-(2,5-difluoroanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium (CID 8841313) is [2-(2,5-difluoroanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium.
What is the SMILES notation for [2-(2,5-difluoroanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium?
The canonical SMILES for [2-(2,5-difluoroanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium is O=C(C[NH+](Cc1ccco1)Cc1ccco1)Nc1cc(F)ccc1F.
What is the InChIKey of [2-(2,5-difluoroanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium?
The InChIKey is LHAVUUVWKXGWMX-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H16F2N2O3/c19-13-5-6-16(20)17(9-13)21-18(23)12-22(10-14-3-1-7-24-14)11-15-4-2-8-25-15/h1-9H,10-12H2,(H,21,23)/p+1.
What are the key properties of [2-(2,5-difluoroanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium?
[2-(2,5-difluoroanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium has a molecular weight of 347.34 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-difluoroanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium is sourced from PubChem (CID 8841313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).