(E)-N-(2,4-difluorophenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide

C13H8F2N2O4 — CID 7039893

IUPAC(E)-N-(2,4-difluorophenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(F)cc1F
InChIInChI=1S/C13H8F2N2O4/c14-8-1-4-11(10(15)7-8)16-12(18)5-2-9-3-6-13(21-9)17(19)20/h1-7H,(H,16,18)/b5-2+
InChIKeyYSFZRIZIDPTCFC-GORDUTHDSA-N
MW294.21 g/mol
LogP3.12
Rot. Bonds4

About (E)-N-(2,4-difluorophenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide

(E)-N-(2,4-difluorophenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide (PubChem CID 7039893) has the molecular formula C13H8F2N2O4 and a molecular weight of 294.21 g/mol. Its IUPAC name is (E)-N-(2,4-difluorophenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,4-difluorophenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide
PubChem CID7039893
Molecular FormulaC13H8F2N2O4
Molecular Weight294.21 g/mol
Exact Mass294.05
IUPAC Name(E)-N-(2,4-difluorophenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(F)cc1F
InChIInChI=1S/C13H8F2N2O4/c14-8-1-4-11(10(15)7-8)16-12(18)5-2-9-3-6-13(21-9)17(19)20/h1-7H,(H,16,18)/b5-2+
InChIKeyYSFZRIZIDPTCFC-GORDUTHDSA-N
XLogP3.12
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.21
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide
CID 5411990
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 9080802
(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 9092235
3-(5-nitrofuran-2-yl)prop-2-enoate
CID 3423261
N-(3,4-dimethoxyphenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 1223760
1-[(4-fluorophenyl)methyl]-3-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]thiourea
CID 8943041
(E)-N-(2-fluorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
CID 45051358
(E)-N-(2-bromo-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 47249112
N-(4-bromo-2-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 887928
N-(2,4-difluorophenyl)-2-oxoacetamide
CID 115165918
2,4-difluoro-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 43763852
(Z)-N-[4-(cyanomethyl)phenyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 22299025

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,4-difluorophenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2,4-difluorophenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide (CID 7039893) is (E)-N-(2,4-difluorophenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,4-difluorophenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,4-difluorophenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide is O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(F)cc1F.
What is the InChIKey of (E)-N-(2,4-difluorophenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide?
The InChIKey is YSFZRIZIDPTCFC-GORDUTHDSA-N. The full InChI is InChI=1S/C13H8F2N2O4/c14-8-1-4-11(10(15)7-8)16-12(18)5-2-9-3-6-13(21-9)17(19)20/h1-7H,(H,16,18)/b5-2+.
What are the key properties of (E)-N-(2,4-difluorophenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide?
(E)-N-(2,4-difluorophenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide has a molecular weight of 294.21 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,4-difluorophenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide is sourced from PubChem (CID 7039893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).