N'-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-4-fluorobenzohydrazide

C20H19FN4O4 — CID 25161998

IUPACN'-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-4-fluorobenzohydrazide
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)c2ccc(F)cc2)C1=O
InChIInChI=1S/C20H19FN4O4/c1-2-20(14-6-4-3-5-7-14)18(28)25(19(29)22-20)12-16(26)23-24-17(27)13-8-10-15(21)11-9-13/h3-11H,2,12H2,1H3,(H,22,29)(H,23,26)(H,24,27)
InChIKeyGJQJUOYBERZXPH-UHFFFAOYSA-N
MW398.39 g/mol
LogP1.44
Rot. Bonds5

About N'-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-4-fluorobenzohydrazide

N'-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-4-fluorobenzohydrazide (PubChem CID 25161998) has the molecular formula C20H19FN4O4 and a molecular weight of 398.39 g/mol. Its IUPAC name is N'-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-4-fluorobenzohydrazide
PubChem CID25161998
Molecular FormulaC20H19FN4O4
Molecular Weight398.39 g/mol
Exact Mass398.14
IUPAC NameN'-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-4-fluorobenzohydrazide
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)c2ccc(F)cc2)C1=O
InChIInChI=1S/C20H19FN4O4/c1-2-20(14-6-4-3-5-7-14)18(28)25(19(29)22-20)12-16(26)23-24-17(27)13-8-10-15(21)11-9-13/h3-11H,2,12H2,1H3,(H,22,29)(H,23,26)(H,24,27)
InChIKeyGJQJUOYBERZXPH-UHFFFAOYSA-N
XLogP1.44
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-4-fluorobenzohydrazide (CID 25161998) is N'-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-4-fluorobenzohydrazide is CCC1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)c2ccc(F)cc2)C1=O.
What is the InChIKey of N'-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-4-fluorobenzohydrazide?
The InChIKey is GJQJUOYBERZXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4/c1-2-20(14-6-4-3-5-7-14)18(28)25(19(29)22-20)12-16(26)23-24-17(27)13-8-10-15(21)11-9-13/h3-11H,2,12H2,1H3,(H,22,29)(H,23,26)(H,24,27).
What are the key properties of N'-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-4-fluorobenzohydrazide?
N'-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-4-fluorobenzohydrazide has a molecular weight of 398.39 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 25161998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).