N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-(2,4,6-trifluorophenyl)oxamide

C14H11F3N2O4 — CID 111799107

IUPACN'-[1-(furan-2-yl)-2-hydroxyethyl]-N-(2,4,6-trifluorophenyl)oxamide
SMILESO=C(Nc1c(F)cc(F)cc1F)C(=O)NC(CO)c1ccco1
InChIInChI=1S/C14H11F3N2O4/c15-7-4-8(16)12(9(17)5-7)19-14(22)13(21)18-10(6-20)11-2-1-3-23-11/h1-5,10,20H,6H2,(H,18,21)(H,19,22)
InChIKeyNOXVFRHGLYKXAB-UHFFFAOYSA-N
MW328.25 g/mol
LogP1.49
Rot. Bonds4

About N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-(2,4,6-trifluorophenyl)oxamide

N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-(2,4,6-trifluorophenyl)oxamide (PubChem CID 111799107) has the molecular formula C14H11F3N2O4 and a molecular weight of 328.25 g/mol. Its IUPAC name is N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-(2,4,6-trifluorophenyl)oxamide.

Molecular Properties

Compound NameN'-[1-(furan-2-yl)-2-hydroxyethyl]-N-(2,4,6-trifluorophenyl)oxamide
PubChem CID111799107
Molecular FormulaC14H11F3N2O4
Molecular Weight328.25 g/mol
Exact Mass328.07
IUPAC NameN'-[1-(furan-2-yl)-2-hydroxyethyl]-N-(2,4,6-trifluorophenyl)oxamide
SMILESO=C(Nc1c(F)cc(F)cc1F)C(=O)NC(CO)c1ccco1
InChIInChI=1S/C14H11F3N2O4/c15-7-4-8(16)12(9(17)5-7)19-14(22)13(21)18-10(6-20)11-2-1-3-23-11/h1-5,10,20H,6H2,(H,18,21)(H,19,22)
InChIKeyNOXVFRHGLYKXAB-UHFFFAOYSA-N
XLogP1.49
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 111799149
N-[1-(furan-2-yl)-2-hydroxyethyl]-2-methylprop-2-enamide
CID 178173933
N-(2,6-difluorophenyl)-N'-[(1S)-2-hydroxy-1-phenylethyl]oxamide
CID 111798649
2-[bromo-(2,4,6-trifluorophenyl)methyl]furan
CID 61097897
2-[(3-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol
CID 111470567
1-(3-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide
CID 110001487
1-(4-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-4-hydroxypyrazole-3-carboxamide
CID 110004135
N-(3-fluorophenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide
CID 111798119
(2R)-2-[(3-chloro-4-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol
CID 99850577
N-(2-bromo-4,6-difluorophenyl)furan-2-carboxamide
CID 1244098
1,3-bis(2,4,6-trifluorophenyl)urea
CID 11716736
N-[2,2-bis(furan-2-yl)ethyl]-N'-(3-fluorophenyl)oxamide
CID 131701808

Frequently Asked Questions

What is the IUPAC name of N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-(2,4,6-trifluorophenyl)oxamide?
The IUPAC name of N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-(2,4,6-trifluorophenyl)oxamide (CID 111799107) is N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-(2,4,6-trifluorophenyl)oxamide.
What is the SMILES notation for N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-(2,4,6-trifluorophenyl)oxamide?
The canonical SMILES for N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-(2,4,6-trifluorophenyl)oxamide is O=C(Nc1c(F)cc(F)cc1F)C(=O)NC(CO)c1ccco1.
What is the InChIKey of N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-(2,4,6-trifluorophenyl)oxamide?
The InChIKey is NOXVFRHGLYKXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O4/c15-7-4-8(16)12(9(17)5-7)19-14(22)13(21)18-10(6-20)11-2-1-3-23-11/h1-5,10,20H,6H2,(H,18,21)(H,19,22).
What are the key properties of N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-(2,4,6-trifluorophenyl)oxamide?
N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-(2,4,6-trifluorophenyl)oxamide has a molecular weight of 328.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-(2,4,6-trifluorophenyl)oxamide is sourced from PubChem (CID 111799107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).