4-fluoro-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide

C14H10FN3O5 — CID 5411990

IUPAC4-fluoro-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])o1)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H10FN3O5/c15-10-3-1-9(2-4-10)14(20)17-16-12(19)7-5-11-6-8-13(23-11)18(21)22/h1-8H,(H,16,19)(H,17,20)/b7-5+
InChIKeyHXOOESROJHMMSY-FNORWQNLSA-N
MW319.25 g/mol
LogP1.80
Rot. Bonds4

About 4-fluoro-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide

4-fluoro-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide (PubChem CID 5411990) has the molecular formula C14H10FN3O5 and a molecular weight of 319.25 g/mol. Its IUPAC name is 4-fluoro-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide
PubChem CID5411990
Molecular FormulaC14H10FN3O5
Molecular Weight319.25 g/mol
Exact Mass319.06
IUPAC Name4-fluoro-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])o1)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H10FN3O5/c15-10-3-1-9(2-4-10)14(20)17-16-12(19)7-5-11-6-8-13(23-11)18(21)22/h1-8H,(H,16,19)(H,17,20)/b7-5+
InChIKeyHXOOESROJHMMSY-FNORWQNLSA-N
XLogP1.80
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-ethyl-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide
CID 9088099
1-[(4-fluorophenyl)methyl]-3-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]thiourea
CID 8943041
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 9080802
(E)-N-(2,4-difluorophenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 7039893
3-hydroxy-N'-[3-(5-nitrofuran-2-yl)prop-2-enoyl]naphthalene-2-carbohydrazide
CID 71086806
(E)-1-[4-[(4-fluorophenyl)methoxy]phenyl]-3-(5-nitrofuran-2-yl)prop-2-en-1-one
CID 52946461
3-(5-nitrofuran-2-yl)prop-2-enoate
CID 3423261
N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 9092558
4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 172987811
(2S)-2-(2,3-dimethylphenoxy)-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]propanehydrazide
CID 9088847
(E)-N-[(4-methylphenyl)methyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 9085952
(E)-1-(4-methoxyphenyl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one
CID 9067378

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 4-fluoro-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide (CID 5411990) is 4-fluoro-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 4-fluoro-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide is O=C(/C=C/c1ccc([N+](=O)[O-])o1)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide?
The InChIKey is HXOOESROJHMMSY-FNORWQNLSA-N. The full InChI is InChI=1S/C14H10FN3O5/c15-10-3-1-9(2-4-10)14(20)17-16-12(19)7-5-11-6-8-13(23-11)18(21)22/h1-8H,(H,16,19)(H,17,20)/b7-5+.
What are the key properties of 4-fluoro-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide?
4-fluoro-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide has a molecular weight of 319.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 5411990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).