N-[2,2-bis(furan-2-yl)ethyl]-N'-(3-fluorophenyl)oxamide

C18H15FN2O4 — CID 131701808

IUPACN-[2,2-bis(furan-2-yl)ethyl]-N'-(3-fluorophenyl)oxamide
SMILESO=C(NCC(c1ccco1)c1ccco1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H15FN2O4/c19-12-4-1-5-13(10-12)21-18(23)17(22)20-11-14(15-6-2-8-24-15)16-7-3-9-25-16/h1-10,14H,11H2,(H,20,22)(H,21,23)
InChIKeyTZHSEALGJMHIOU-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.90
Rot. Bonds5

About N-[2,2-bis(furan-2-yl)ethyl]-N'-(3-fluorophenyl)oxamide

N-[2,2-bis(furan-2-yl)ethyl]-N'-(3-fluorophenyl)oxamide (PubChem CID 131701808) has the molecular formula C18H15FN2O4 and a molecular weight of 342.33 g/mol. Its IUPAC name is N-[2,2-bis(furan-2-yl)ethyl]-N'-(3-fluorophenyl)oxamide.

Molecular Properties

Compound NameN-[2,2-bis(furan-2-yl)ethyl]-N'-(3-fluorophenyl)oxamide
PubChem CID131701808
Molecular FormulaC18H15FN2O4
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC NameN-[2,2-bis(furan-2-yl)ethyl]-N'-(3-fluorophenyl)oxamide
SMILESO=C(NCC(c1ccco1)c1ccco1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H15FN2O4/c19-12-4-1-5-13(10-12)21-18(23)17(22)20-11-14(15-6-2-8-24-15)16-7-3-9-25-16/h1-10,14H,11H2,(H,20,22)(H,21,23)
InChIKeyTZHSEALGJMHIOU-UHFFFAOYSA-N
XLogP2.90
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide
CID 2291432
[2-(3-fluoroanilino)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919141
N'-(3-fluorophenyl)-N-prop-2-enyloxamide
CID 7292817
N-(2-acetamidoethyl)-N'-(3-fluorophenyl)oxamide
CID 47226155
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N'-(3-fluorophenyl)oxamide
CID 90490965
N'-(3-fluorophenyl)-N-(3-phenylpropyl)oxamide
CID 7541549
N'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
CID 90598559
N'-(3-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496902
1-[2,2-bis(furan-2-yl)ethyl]-3-(3,4-dichlorophenyl)urea
CID 131701819
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-N'-(3-fluorophenyl)oxamide
CID 40847938
N-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)oxamide
CID 2272581
N'-(3-bromophenyl)-N-(3-fluorophenyl)oxamide
CID 108529598

Frequently Asked Questions

What is the IUPAC name of N-[2,2-bis(furan-2-yl)ethyl]-N'-(3-fluorophenyl)oxamide?
The IUPAC name of N-[2,2-bis(furan-2-yl)ethyl]-N'-(3-fluorophenyl)oxamide (CID 131701808) is N-[2,2-bis(furan-2-yl)ethyl]-N'-(3-fluorophenyl)oxamide.
What is the SMILES notation for N-[2,2-bis(furan-2-yl)ethyl]-N'-(3-fluorophenyl)oxamide?
The canonical SMILES for N-[2,2-bis(furan-2-yl)ethyl]-N'-(3-fluorophenyl)oxamide is O=C(NCC(c1ccco1)c1ccco1)C(=O)Nc1cccc(F)c1.
What is the InChIKey of N-[2,2-bis(furan-2-yl)ethyl]-N'-(3-fluorophenyl)oxamide?
The InChIKey is TZHSEALGJMHIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4/c19-12-4-1-5-13(10-12)21-18(23)17(22)20-11-14(15-6-2-8-24-15)16-7-3-9-25-16/h1-10,14H,11H2,(H,20,22)(H,21,23).
What are the key properties of N-[2,2-bis(furan-2-yl)ethyl]-N'-(3-fluorophenyl)oxamide?
N-[2,2-bis(furan-2-yl)ethyl]-N'-(3-fluorophenyl)oxamide has a molecular weight of 342.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-bis(furan-2-yl)ethyl]-N'-(3-fluorophenyl)oxamide is sourced from PubChem (CID 131701808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).