N'-(2,5-difluorophenyl)-N-[2-(furan-3-yl)ethyl]oxamide

C14H12F2N2O3 — CID 90558490

IUPACN'-(2,5-difluorophenyl)-N-[2-(furan-3-yl)ethyl]oxamide
SMILESO=C(NCCc1ccoc1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C14H12F2N2O3/c15-10-1-2-11(16)12(7-10)18-14(20)13(19)17-5-3-9-4-6-21-8-9/h1-2,4,6-8H,3,5H2,(H,17,19)(H,18,20)
InChIKeyZUGJSNLQSZSAMY-UHFFFAOYSA-N
MW294.26 g/mol
LogP1.86
Rot. Bonds4

About N'-(2,5-difluorophenyl)-N-[2-(furan-3-yl)ethyl]oxamide

N'-(2,5-difluorophenyl)-N-[2-(furan-3-yl)ethyl]oxamide (PubChem CID 90558490) has the molecular formula C14H12F2N2O3 and a molecular weight of 294.26 g/mol. Its IUPAC name is N'-(2,5-difluorophenyl)-N-[2-(furan-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,5-difluorophenyl)-N-[2-(furan-3-yl)ethyl]oxamide
PubChem CID90558490
Molecular FormulaC14H12F2N2O3
Molecular Weight294.26 g/mol
Exact Mass294.08
IUPAC NameN'-(2,5-difluorophenyl)-N-[2-(furan-3-yl)ethyl]oxamide
SMILESO=C(NCCc1ccoc1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C14H12F2N2O3/c15-10-1-2-11(16)12(7-10)18-14(20)13(19)17-5-3-9-4-6-21-8-9/h1-2,4,6-8H,3,5H2,(H,17,19)(H,18,20)
InChIKeyZUGJSNLQSZSAMY-UHFFFAOYSA-N
XLogP1.86
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 51.86
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

N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7292792
1-(2-fluorophenyl)-3-[2-(furan-3-yl)ethyl]urea
CID 90558541
N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 7541504
N'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide
CID 111337517
N-[2-(furan-3-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 90558521
N'-(2,5-difluorophenyl)-N-(3-formamidopropyl)oxamide
CID 108528944
N'-[2-(dimethylamino)ethyl]-N-[2-(furan-3-yl)ethyl]oxamide
CID 90558523
N'-(2,5-difluorophenyl)-N-prop-2-enyloxamide
CID 7585077
N'-(2-fluoro-5-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
CID 60617178
N'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
CID 48894796
N'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide
CID 44999528
1-[2-(3-bromophenyl)ethyl]-3-(2,5-difluorophenyl)urea
CID 108901812

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-difluorophenyl)-N-[2-(furan-3-yl)ethyl]oxamide?
The IUPAC name of N'-(2,5-difluorophenyl)-N-[2-(furan-3-yl)ethyl]oxamide (CID 90558490) is N'-(2,5-difluorophenyl)-N-[2-(furan-3-yl)ethyl]oxamide.
What is the SMILES notation for N'-(2,5-difluorophenyl)-N-[2-(furan-3-yl)ethyl]oxamide?
The canonical SMILES for N'-(2,5-difluorophenyl)-N-[2-(furan-3-yl)ethyl]oxamide is O=C(NCCc1ccoc1)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N'-(2,5-difluorophenyl)-N-[2-(furan-3-yl)ethyl]oxamide?
The InChIKey is ZUGJSNLQSZSAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3/c15-10-1-2-11(16)12(7-10)18-14(20)13(19)17-5-3-9-4-6-21-8-9/h1-2,4,6-8H,3,5H2,(H,17,19)(H,18,20).
What are the key properties of N'-(2,5-difluorophenyl)-N-[2-(furan-3-yl)ethyl]oxamide?
N'-(2,5-difluorophenyl)-N-[2-(furan-3-yl)ethyl]oxamide has a molecular weight of 294.26 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-difluorophenyl)-N-[2-(furan-3-yl)ethyl]oxamide is sourced from PubChem (CID 90558490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).