4-fluoro-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide

C19H16FN5O2 — CID 135517068

IUPAC4-fluoro-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C19H16FN5O2/c20-16-8-6-14(7-9-16)19(27)21-12-17(26)24-22-10-15-11-23-25-18(15)13-4-2-1-3-5-13/h1-11H,12H2,(H,21,27)(H,23,25)(H,24,26)/b22-10+
InChIKeyDBIPEDJJAYYSGB-LSHDLFTRSA-N
MW365.37 g/mol
LogP2.10
Rot. Bonds6

About 4-fluoro-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide

4-fluoro-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide (PubChem CID 135517068) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 4-fluoro-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
PubChem CID135517068
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name4-fluoro-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C19H16FN5O2/c20-16-8-6-14(7-9-16)19(27)21-12-17(26)24-22-10-15-11-23-25-18(15)13-4-2-1-3-5-13/h1-11H,12H2,(H,21,27)(H,23,25)(H,24,26)/b22-10+
InChIKeyDBIPEDJJAYYSGB-LSHDLFTRSA-N
XLogP2.10
TPSA99.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.10
H-Bond Donors ≤ 53
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-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 135425046
N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide
CID 136900537
2-chloro-N-[2-oxo-2-[2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 3376746
2-[(2-phenoxyacetyl)amino]-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 3895912
N-[2-oxo-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]propyl]benzamide
CID 159791235
N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
CID 3262359
N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-2-carboxamide
CID 135958015
4-fluoro-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135685168
N-[(Z)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-hydroxybenzamide
CID 136728460
N-[2-oxo-2-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 6884306
4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoate
CID 4178968
2-(3-methylanilino)-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 135699390

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide (CID 135517068) is 4-fluoro-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide is O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1cn[nH]c1-c1ccccc1.
What is the InChIKey of 4-fluoro-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide?
The InChIKey is DBIPEDJJAYYSGB-LSHDLFTRSA-N. The full InChI is InChI=1S/C19H16FN5O2/c20-16-8-6-14(7-9-16)19(27)21-12-17(26)24-22-10-15-11-23-25-18(15)13-4-2-1-3-5-13/h1-11H,12H2,(H,21,27)(H,23,25)(H,24,26)/b22-10+.
What are the key properties of 4-fluoro-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide?
4-fluoro-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide has a molecular weight of 365.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 135517068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).