3-fluoro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutylidene)hydrazinyl]ethyl]benzamide

C19H20FN3O2 — CID 6032270

IUPAC3-fluoro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutylidene)hydrazinyl]ethyl]benzamide
SMILESCCC/C(=N/NC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C19H20FN3O2/c1-2-7-17(14-8-4-3-5-9-14)22-23-18(24)13-21-19(25)15-10-6-11-16(20)12-15/h3-6,8-12H,2,7,13H2,1H3,(H,21,25)(H,23,24)/b22-17-
InChIKeyPNQGGVPYSXEGEZ-XLNRJJMWSA-N
MW341.39 g/mol
LogP2.88
Rot. Bonds7

About 3-fluoro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutylidene)hydrazinyl]ethyl]benzamide

3-fluoro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutylidene)hydrazinyl]ethyl]benzamide (PubChem CID 6032270) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 3-fluoro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutylidene)hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutylidene)hydrazinyl]ethyl]benzamide
PubChem CID6032270
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name3-fluoro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutylidene)hydrazinyl]ethyl]benzamide
SMILESCCC/C(=N/NC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C19H20FN3O2/c1-2-7-17(14-8-4-3-5-9-14)22-23-18(24)13-21-19(25)15-10-6-11-16(20)12-15/h3-6,8-12H,2,7,13H2,1H3,(H,21,25)(H,23,24)/b22-17-
InChIKeyPNQGGVPYSXEGEZ-XLNRJJMWSA-N
XLogP2.88
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-fluoro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutylidene)hydrazinyl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide
CID 19685646
2-(3-fluorophenoxy)-N-[(Z)-1-phenylbutylideneamino]acetamide
CID 9242034
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
3-fluoro-N-[2-[(2Z)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6271651
N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679
3-fluoro-N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4587189
3-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
CID 34231408
N-[2-(2,6-diethylanilino)-2-oxoethyl]-3-fluorobenzamide
CID 112997286
N-[2-[(2E)-2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
CID 135419454
N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]benzamide
CID 9153067
2-[[2-[(3-fluorobenzoyl)amino]acetyl]-propylamino]acetic acid
CID 61011831
3-fluoro-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
CID 5333730

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutylidene)hydrazinyl]ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutylidene)hydrazinyl]ethyl]benzamide (CID 6032270) is 3-fluoro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutylidene)hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutylidene)hydrazinyl]ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutylidene)hydrazinyl]ethyl]benzamide is CCC/C(=N/NC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1.
What is the InChIKey of 3-fluoro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutylidene)hydrazinyl]ethyl]benzamide?
The InChIKey is PNQGGVPYSXEGEZ-XLNRJJMWSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-2-7-17(14-8-4-3-5-9-14)22-23-18(24)13-21-19(25)15-10-6-11-16(20)12-15/h3-6,8-12H,2,7,13H2,1H3,(H,21,25)(H,23,24)/b22-17-.
What are the key properties of 3-fluoro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutylidene)hydrazinyl]ethyl]benzamide?
3-fluoro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutylidene)hydrazinyl]ethyl]benzamide has a molecular weight of 341.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutylidene)hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 6032270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).