4-fluoro-N-[2-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide

C15H14FN3O3 — CID 6035769

IUPAC4-fluoro-N-[2-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESC/C(=N\NC(=O)CNC(=O)c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C15H14FN3O3/c1-10(13-3-2-8-22-13)18-19-14(20)9-17-15(21)11-4-6-12(16)7-5-11/h2-8H,9H2,1H3,(H,17,21)(H,19,20)/b18-10+
InChIKeyOMCFAOSBOGDBCW-VCHYOVAHSA-N
MW303.29 g/mol
LogP1.69
Rot. Bonds5

About 4-fluoro-N-[2-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide

4-fluoro-N-[2-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 6035769) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 4-fluoro-N-[2-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID6035769
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name4-fluoro-N-[2-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESC/C(=N\NC(=O)CNC(=O)c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C15H14FN3O3/c1-10(13-3-2-8-22-13)18-19-14(20)9-17-15(21)11-4-6-12(16)7-5-11/h2-8H,9H2,1H3,(H,17,21)(H,19,20)/b18-10+
InChIKeyOMCFAOSBOGDBCW-VCHYOVAHSA-N
XLogP1.69
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzyl-1-piperazinyl)-N'-[(E)-2-furylmethylidene]acetohydrazide
CID 6879025
2-Bromo-N-({N'-[(E)-(furan-2-YL)methylidene]hydrazinecarbonyl}methyl)benzamide
CID 9643866
2-(4-benzylpiperazin-1-yl)-N'-[(2E)-3-(2-furyl)-2-methylprop-2-enylidene]acetohydrazide
CID 6342445
(E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 2579466
N-{2-[2-(2-furylmethylene)hydrazino]-2-oxoethyl}-3-phenylacrylamide
CID 5333643
2-Fluoro-N-({N'-[(1E)-1-(furan-2-YL)ethylidene]hydrazinecarbonyl}methyl)benzamide
CID 9611294
N-({N'-[(1E)-1-(4-Methoxyphenyl)ethylidene]hydrazinecarbonyl}methyl)furan-2-carboxamide
CID 9621408
N-[1-Furan-2-yl-eth-(E)-ylidene-hydrazinocarbonylmethyl]-3,4-dimethoxy-benzamide
CID 9626106
N-{2-[2-(2-furylmethylene)hydrazino]-1-methyl-2-oxoethyl}benzamide
CID 9642248
3-Fluoro-N-({N'-[(1E)-1-(furan-2-YL)ethylidene]hydrazinecarbonyl}methyl)benzamide
CID 9677979
N-(furan-2-ylmethyl)-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide
CID 2085099
N-(1-{[2-(2-furylmethylene)hydrazino]carbonyl}-3-methylbutyl)benzamide
CID 9602528

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 6035769) is 4-fluoro-N-[2-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide is C/C(=N\NC(=O)CNC(=O)c1ccc(F)cc1)c1ccco1.
What is the InChIKey of 4-fluoro-N-[2-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is OMCFAOSBOGDBCW-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H14FN3O3/c1-10(13-3-2-8-22-13)18-19-14(20)9-17-15(21)11-4-6-12(16)7-5-11/h2-8H,9H2,1H3,(H,17,21)(H,19,20)/b18-10+.
What are the key properties of 4-fluoro-N-[2-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
4-fluoro-N-[2-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 303.29 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 6035769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).