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

C15H14FN3O3 — CID 4587189

IUPAC3-fluoro-N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESCC(=NNC(=O)CNC(=O)c1cccc(F)c1)c1ccco1
InChIInChI=1S/C15H14FN3O3/c1-10(13-6-3-7-22-13)18-19-14(20)9-17-15(21)11-4-2-5-12(16)8-11/h2-8H,9H2,1H3,(H,17,21)(H,19,20)
InChIKeyVYCPSBOVFGHJEV-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.69
Rot. Bonds5

About 3-fluoro-N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide

3-fluoro-N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 4587189) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 3-fluoro-N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID4587189
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name3-fluoro-N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESCC(=NNC(=O)CNC(=O)c1cccc(F)c1)c1ccco1
InChIInChI=1S/C15H14FN3O3/c1-10(13-6-3-7-22-13)18-19-14(20)9-17-15(21)11-4-2-5-12(16)8-11/h2-8H,9H2,1H3,(H,17,21)(H,19,20)
InChIKeyVYCPSBOVFGHJEV-UHFFFAOYSA-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

N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-methoxybenzamide
CID 3273418
3-fluoro-N-[2-[(2Z)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6271651
N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 3716256
N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-4-methoxybenzamide
CID 3757889
3-fluoro-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
CID 5333730
N-[4-[N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 3270950
3-fluoro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutylidene)hydrazinyl]ethyl]benzamide
CID 6032270
N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide
CID 910469
N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 3790298
3-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5407477
3-amino-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5391882
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 4587189) is 3-fluoro-N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide is CC(=NNC(=O)CNC(=O)c1cccc(F)c1)c1ccco1.
What is the InChIKey of 3-fluoro-N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is VYCPSBOVFGHJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c1-10(13-6-3-7-22-13)18-19-14(20)9-17-15(21)11-4-2-5-12(16)8-11/h2-8H,9H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 3-fluoro-N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
3-fluoro-N-[2-[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 3-fluoro-N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 4587189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).