N-[[5-(furan-2-yl)furan-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide

C18H13F3N2O4 — CID 119101900

IUPACN-[[5-(furan-2-yl)furan-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCc1ccc(-c2ccco2)o1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H13F3N2O4/c19-18(20,21)12-4-1-2-5-13(12)23-17(25)16(24)22-10-11-7-8-15(27-11)14-6-3-9-26-14/h1-9H,10H2,(H,22,24)(H,23,25)
InChIKeyHDTDLOBCRVGYBR-UHFFFAOYSA-N
MW378.31 g/mol
LogP3.81
Rot. Bonds4

About N-[[5-(furan-2-yl)furan-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide

N-[[5-(furan-2-yl)furan-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide (PubChem CID 119101900) has the molecular formula C18H13F3N2O4 and a molecular weight of 378.31 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)furan-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)furan-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
PubChem CID119101900
Molecular FormulaC18H13F3N2O4
Molecular Weight378.31 g/mol
Exact Mass378.08
IUPAC NameN-[[5-(furan-2-yl)furan-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCc1ccc(-c2ccco2)o1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H13F3N2O4/c19-18(20,21)12-4-1-2-5-13(12)23-17(25)16(24)22-10-11-7-8-15(27-11)14-6-3-9-26-14/h1-9H,10H2,(H,22,24)(H,23,25)
InChIKeyHDTDLOBCRVGYBR-UHFFFAOYSA-N
XLogP3.81
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 53.81
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

1-[(5-thiophen-2-ylfuran-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121019157
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 121133649
N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000500
1-ethyl-3-[[5-(furan-2-yl)furan-2-yl]methyl]urea
CID 122244089
N-(furan-2-ylmethyl)-1-[[2-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide
CID 6487894
[1-[[5-(furan-2-yl)furan-2-yl]methylamino]-2-methyl-1-oxopropan-2-yl] acetate
CID 122161310
N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 727485
N-[[5-(furan-2-yl)furan-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 121019189
2-cyclopropyl-N-[[5-(furan-2-yl)furan-2-yl]methyl]acetamide
CID 122160322
N-prop-2-enyl-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000430
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 129416791

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)furan-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-[[5-(furan-2-yl)furan-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide (CID 119101900) is N-[[5-(furan-2-yl)furan-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-[[5-(furan-2-yl)furan-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-[[5-(furan-2-yl)furan-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide is O=C(NCc1ccc(-c2ccco2)o1)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-[[5-(furan-2-yl)furan-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
The InChIKey is HDTDLOBCRVGYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O4/c19-18(20,21)12-4-1-2-5-13(12)23-17(25)16(24)22-10-11-7-8-15(27-11)14-6-3-9-26-14/h1-9H,10H2,(H,22,24)(H,23,25).
What are the key properties of N-[[5-(furan-2-yl)furan-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
N-[[5-(furan-2-yl)furan-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide has a molecular weight of 378.31 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)furan-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 119101900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).