3-fluoro-N-[2-oxo-2-[(2E)-2-(2-oxo-3H-inden-1-ylidene)hydrazinyl]ethyl]benzamide

C18H14FN3O3 — CID 123383850

IUPAC3-fluoro-N-[2-oxo-2-[(2E)-2-(2-oxo-3H-inden-1-ylidene)hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(F)c1)N/N=C1/C(=O)Cc2ccccc21
InChIInChI=1S/C18H14FN3O3/c19-13-6-3-5-12(8-13)18(25)20-10-16(24)21-22-17-14-7-2-1-4-11(14)9-15(17)23/h1-8H,9-10H2,(H,20,25)(H,21,24)/b22-17+
InChIKeyZMYHNFYXDIQLEJ-OQKWZONESA-N
MW339.33 g/mol
LogP1.20
Rot. Bonds4

About 3-fluoro-N-[2-oxo-2-[(2E)-2-(2-oxo-3H-inden-1-ylidene)hydrazinyl]ethyl]benzamide

3-fluoro-N-[2-oxo-2-[(2E)-2-(2-oxo-3H-inden-1-ylidene)hydrazinyl]ethyl]benzamide (PubChem CID 123383850) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is 3-fluoro-N-[2-oxo-2-[(2E)-2-(2-oxo-3H-inden-1-ylidene)hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-oxo-2-[(2E)-2-(2-oxo-3H-inden-1-ylidene)hydrazinyl]ethyl]benzamide
PubChem CID123383850
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name3-fluoro-N-[2-oxo-2-[(2E)-2-(2-oxo-3H-inden-1-ylidene)hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(F)c1)N/N=C1/C(=O)Cc2ccccc21
InChIInChI=1S/C18H14FN3O3/c19-13-6-3-5-12(8-13)18(25)20-10-16(24)21-22-17-14-7-2-1-4-11(14)9-15(17)23/h1-8H,9-10H2,(H,20,25)(H,21,24)/b22-17+
InChIKeyZMYHNFYXDIQLEJ-OQKWZONESA-N
XLogP1.20
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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3-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
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3-fluoro-N-[2-[(2Z)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
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3-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82725712
N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
CID 35929184
3-fluoro-N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4587189
3-fluoro-N-[2-[(2E)-2-[(2-hydroxy-4-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 171980626
N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-3-fluorobenzamide
CID 108540746

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-oxo-2-[(2E)-2-(2-oxo-3H-inden-1-ylidene)hydrazinyl]ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-oxo-2-[(2E)-2-(2-oxo-3H-inden-1-ylidene)hydrazinyl]ethyl]benzamide (CID 123383850) is 3-fluoro-N-[2-oxo-2-[(2E)-2-(2-oxo-3H-inden-1-ylidene)hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-oxo-2-[(2E)-2-(2-oxo-3H-inden-1-ylidene)hydrazinyl]ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-oxo-2-[(2E)-2-(2-oxo-3H-inden-1-ylidene)hydrazinyl]ethyl]benzamide is O=C(CNC(=O)c1cccc(F)c1)N/N=C1/C(=O)Cc2ccccc21.
What is the InChIKey of 3-fluoro-N-[2-oxo-2-[(2E)-2-(2-oxo-3H-inden-1-ylidene)hydrazinyl]ethyl]benzamide?
The InChIKey is ZMYHNFYXDIQLEJ-OQKWZONESA-N. The full InChI is InChI=1S/C18H14FN3O3/c19-13-6-3-5-12(8-13)18(25)20-10-16(24)21-22-17-14-7-2-1-4-11(14)9-15(17)23/h1-8H,9-10H2,(H,20,25)(H,21,24)/b22-17+.
What are the key properties of 3-fluoro-N-[2-oxo-2-[(2E)-2-(2-oxo-3H-inden-1-ylidene)hydrazinyl]ethyl]benzamide?
3-fluoro-N-[2-oxo-2-[(2E)-2-(2-oxo-3H-inden-1-ylidene)hydrazinyl]ethyl]benzamide has a molecular weight of 339.33 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-oxo-2-[(2E)-2-(2-oxo-3H-inden-1-ylidene)hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 123383850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).