3-fluoro-N-[2-[(2Z)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide

C18H18FN3O2 — CID 6271651

IUPAC3-fluoro-N-[2-[(2Z)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESC/C(=N/NC(=O)CNC(=O)c1cccc(F)c1)c1ccc(C)cc1
InChIInChI=1S/C18H18FN3O2/c1-12-6-8-14(9-7-12)13(2)21-22-17(23)11-20-18(24)15-4-3-5-16(19)10-15/h3-10H,11H2,1-2H3,(H,20,24)(H,22,23)/b21-13-
InChIKeyVGSCVAGXBSNUAM-BKUYFWCQSA-N
MW327.36 g/mol
LogP2.40
Rot. Bonds5

About 3-fluoro-N-[2-[(2Z)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide

3-fluoro-N-[2-[(2Z)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 6271651) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-fluoro-N-[2-[(2Z)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[(2Z)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID6271651
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name3-fluoro-N-[2-[(2Z)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESC/C(=N/NC(=O)CNC(=O)c1cccc(F)c1)c1ccc(C)cc1
InChIInChI=1S/C18H18FN3O2/c1-12-6-8-14(9-7-12)13(2)21-22-17(23)11-20-18(24)15-4-3-5-16(19)10-15/h3-10H,11H2,1-2H3,(H,20,24)(H,22,23)/b21-13-
InChIKeyVGSCVAGXBSNUAM-BKUYFWCQSA-N
XLogP2.40
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.40
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'}

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Related Compounds

3-fluoro-N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4587189
3-fluoro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutylidene)hydrazinyl]ethyl]benzamide
CID 6032270
3-fluoro-N-[2-[(2E)-2-[(2-hydroxy-4-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 171980626
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
N-[2-(2,6-diethylanilino)-2-oxoethyl]-3-fluorobenzamide
CID 112997286
N-[2-oxo-2-[2-[1-(4-phenylphenyl)ethylidene]hydrazinyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 4556639
2-bromo-N-[2-oxo-2-[2-(1-phenylethylidene)hydrazinyl]ethyl]benzamide
CID 7224842
N-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide
CID 113057546
3-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82725712
N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679
N-[3-[(Z)-N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-3-fluorobenzamide
CID 6022276
N-[2-[(2E)-2-[(2,4-dihydroxy-6-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
CID 135685403

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[(2Z)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[(2Z)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 6271651) is 3-fluoro-N-[2-[(2Z)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[(2Z)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[(2Z)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide is C/C(=N/NC(=O)CNC(=O)c1cccc(F)c1)c1ccc(C)cc1.
What is the InChIKey of 3-fluoro-N-[2-[(2Z)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is VGSCVAGXBSNUAM-BKUYFWCQSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-12-6-8-14(9-7-12)13(2)21-22-17(23)11-20-18(24)15-4-3-5-16(19)10-15/h3-10H,11H2,1-2H3,(H,20,24)(H,22,23)/b21-13-.
What are the key properties of 3-fluoro-N-[2-[(2Z)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
3-fluoro-N-[2-[(2Z)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 327.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[(2Z)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 6271651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).