N-[2-(furan-3-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide

C15H13F3N2O3 — CID 90558521

IUPACN-[2-(furan-3-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCCc1ccoc1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O3/c16-15(17,18)11-1-3-12(4-2-11)20-14(22)13(21)19-7-5-10-6-8-23-9-10/h1-4,6,8-9H,5,7H2,(H,19,21)(H,20,22)
InChIKeyMRKQMSQDAIXPGC-UHFFFAOYSA-N
MW326.27 g/mol
LogP2.60
Rot. Bonds4

About N-[2-(furan-3-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide

N-[2-(furan-3-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 90558521) has the molecular formula C15H13F3N2O3 and a molecular weight of 326.27 g/mol. Its IUPAC name is N-[2-(furan-3-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[2-(furan-3-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID90558521
Molecular FormulaC15H13F3N2O3
Molecular Weight326.27 g/mol
Exact Mass326.09
IUPAC NameN-[2-(furan-3-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCCc1ccoc1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O3/c16-15(17,18)11-1-3-12(4-2-11)20-14(22)13(21)19-7-5-10-6-8-23-9-10/h1-4,6,8-9H,5,7H2,(H,19,21)(H,20,22)
InChIKeyMRKQMSQDAIXPGC-UHFFFAOYSA-N
XLogP2.60
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylphenyl)-3-[2-(furan-3-yl)ethyl]urea
CID 90558553
N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 95986774
N-(2-aminoethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 43315998
1-[(2S)-1-(furan-3-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 99873238
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 108529772
N'-(2,5-difluorophenyl)-N-[2-(furan-3-yl)ethyl]oxamide
CID 90558490
N-[2-(furan-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71798515
N'-[2-(dimethylamino)ethyl]-N-[2-(furan-3-yl)ethyl]oxamide
CID 90558523
N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]furan-3-carboxamide
CID 46450491
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 51471474
N'-(4-tert-butylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 108985809

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-[2-(furan-3-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide (CID 90558521) is N-[2-(furan-3-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-[2-(furan-3-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-[2-(furan-3-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide is O=C(NCCc1ccoc1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(furan-3-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is MRKQMSQDAIXPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3/c16-15(17,18)11-1-3-12(4-2-11)20-14(22)13(21)19-7-5-10-6-8-23-9-10/h1-4,6,8-9H,5,7H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-(furan-3-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
N-[2-(furan-3-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 326.27 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-3-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 90558521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).