(Z)-N-(2-fluoro-5-nitrophenyl)-3-(furan-2-yl)prop-2-enamide

C13H9FN2O4 — CID 2275582

IUPAC(Z)-N-(2-fluoro-5-nitrophenyl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C\c1ccco1)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C13H9FN2O4/c14-11-5-3-9(16(18)19)8-12(11)15-13(17)6-4-10-2-1-7-20-10/h1-8H,(H,15,17)/b6-4-
InChIKeyFROAUCBLDFYRRR-XQRVVYSFSA-N
MW276.22 g/mol
LogP2.98
Rot. Bonds4

About (Z)-N-(2-fluoro-5-nitrophenyl)-3-(furan-2-yl)prop-2-enamide

(Z)-N-(2-fluoro-5-nitrophenyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 2275582) has the molecular formula C13H9FN2O4 and a molecular weight of 276.22 g/mol. Its IUPAC name is (Z)-N-(2-fluoro-5-nitrophenyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2-fluoro-5-nitrophenyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID2275582
Molecular FormulaC13H9FN2O4
Molecular Weight276.22 g/mol
Exact Mass276.05
IUPAC Name(Z)-N-(2-fluoro-5-nitrophenyl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C\c1ccco1)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C13H9FN2O4/c14-11-5-3-9(16(18)19)8-12(11)15-13(17)6-4-10-2-1-7-20-10/h1-8H,(H,15,17)/b6-4-
InChIKeyFROAUCBLDFYRRR-XQRVVYSFSA-N
XLogP2.98
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 52.98
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-fluoro-5-nitrophenyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (Z)-N-(2-fluoro-5-nitrophenyl)-3-(furan-2-yl)prop-2-enamide (CID 2275582) is (Z)-N-(2-fluoro-5-nitrophenyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(2-fluoro-5-nitrophenyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-(2-fluoro-5-nitrophenyl)-3-(furan-2-yl)prop-2-enamide is O=C(/C=C\c1ccco1)Nc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of (Z)-N-(2-fluoro-5-nitrophenyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is FROAUCBLDFYRRR-XQRVVYSFSA-N. The full InChI is InChI=1S/C13H9FN2O4/c14-11-5-3-9(16(18)19)8-12(11)15-13(17)6-4-10-2-1-7-20-10/h1-8H,(H,15,17)/b6-4-.
What are the key properties of (Z)-N-(2-fluoro-5-nitrophenyl)-3-(furan-2-yl)prop-2-enamide?
(Z)-N-(2-fluoro-5-nitrophenyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 276.22 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-fluoro-5-nitrophenyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 2275582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).