3-fluoro-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide

C14H12FN3O3 — CID 5333730

IUPAC3-fluoro-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(F)c1)N/N=C/c1ccco1
InChIInChI=1S/C14H12FN3O3/c15-11-4-1-3-10(7-11)14(20)16-9-13(19)18-17-8-12-5-2-6-21-12/h1-8H,9H2,(H,16,20)(H,18,19)/b17-8+
InChIKeyQZEBYGRERCECPK-CAOOACKPSA-N
MW289.27 g/mol
LogP1.30
Rot. Bonds5

About 3-fluoro-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide

3-fluoro-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 5333730) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 3-fluoro-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
PubChem CID5333730
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name3-fluoro-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(F)c1)N/N=C/c1ccco1
InChIInChI=1S/C14H12FN3O3/c15-11-4-1-3-10(7-11)14(20)16-9-13(19)18-17-8-12-5-2-6-21-12/h1-8H,9H2,(H,16,20)(H,18,19)/b17-8+
InChIKeyQZEBYGRERCECPK-CAOOACKPSA-N
XLogP1.30
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 51.30
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

3-fluoro-N-[(E)-furan-2-ylmethylideneamino]benzamide
CID 6895117
3-fluoro-N-[2-[(2E)-2-[(2-hydroxy-4-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 171980626
3-fluoro-N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4587189
2-(4-fluoroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5404241
N-[2-[(2E)-2-[(2,4-dihydroxy-6-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
CID 135685403
N-[2-[(2E)-2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
CID 135419454
3-fluoro-N-[2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4195125
N-[2-[(2Z)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
CID 136909142
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
N-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]dodecanamide
CID 5101537
4-chloro-N-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4206598
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide (CID 5333730) is 3-fluoro-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide is O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1ccco1.
What is the InChIKey of 3-fluoro-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is QZEBYGRERCECPK-CAOOACKPSA-N. The full InChI is InChI=1S/C14H12FN3O3/c15-11-4-1-3-10(7-11)14(20)16-9-13(19)18-17-8-12-5-2-6-21-12/h1-8H,9H2,(H,16,20)(H,18,19)/b17-8+.
What are the key properties of 3-fluoro-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide?
3-fluoro-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 289.27 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 5333730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).