N-[(2-fluorophenyl)methylideneamino]-2-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide

C18H16F2N4O3 — CID 2246974

IUPACN-[(2-fluorophenyl)methylideneamino]-2-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
SMILESO=C(COCC(=O)NN=Cc1ccccc1F)NN=Cc1ccccc1F
InChIInChI=1S/C18H16F2N4O3/c19-15-7-3-1-5-13(15)9-21-23-17(25)11-27-12-18(26)24-22-10-14-6-2-4-8-16(14)20/h1-10H,11-12H2,(H,23,25)(H,24,26)
InChIKeyCKKGKSWGDZJDQQ-UHFFFAOYSA-N
MW374.35 g/mol
LogP1.58
Rot. Bonds8

About N-[(2-fluorophenyl)methylideneamino]-2-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide

N-[(2-fluorophenyl)methylideneamino]-2-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide (PubChem CID 2246974) has the molecular formula C18H16F2N4O3 and a molecular weight of 374.35 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methylideneamino]-2-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methylideneamino]-2-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
PubChem CID2246974
Molecular FormulaC18H16F2N4O3
Molecular Weight374.35 g/mol
Exact Mass374.12
IUPAC NameN-[(2-fluorophenyl)methylideneamino]-2-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
SMILESO=C(COCC(=O)NN=Cc1ccccc1F)NN=Cc1ccccc1F
InChIInChI=1S/C18H16F2N4O3/c19-15-7-3-1-5-13(15)9-21-23-17(25)11-27-12-18(26)24-22-10-14-6-2-4-8-16(14)20/h1-10H,11-12H2,(H,23,25)(H,24,26)
InChIKeyCKKGKSWGDZJDQQ-UHFFFAOYSA-N
XLogP1.58
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'~1~,N'~3~-bis[(E)-(4-fluorophenyl)methylidene]propanedihydrazide
CID 6884417
2,2'-oxybis[N'-(2-fluorobenzylidene)acetohydrazide]
CID 5340045
ethyl [(2E)-2-(4-fluorobenzylidene)hydrazinyl](oxo)acetate
CID 6883426
N'-(2-fluorobenzylidene)-2-hydroxyacetohydrazide
CID 5340423
2,2'-oxybis[N'-(4-fluorobenzylidene)acetohydrazide]
CID 5339990
Diglycolic bis((3-phenylpropylidene)hydrazide)
CID 9655848
N'~1~,N'~5~-bis[(E)-(4-fluorophenyl)methylidene]pentanedihydrazide
CID 6888098
N,N'-bis[(E)-(2-fluorophenyl)methyleneamino]pentanediamide
CID 9665466
N-[(E)-(3-fluorophenyl)methyleneamino]-2-[2-[(2E)-2-[(3-fluorophenyl)methylene]hydrazino]-2-oxo-ethoxy]acetamide
CID 155923914
ethyl [(2E)-2-(2-fluorobenzylidene)hydrazinyl](oxo)acetate
CID 6870340
N'-[(E)-(4-Fluorophenyl)methylidene]-2-methoxyacetohydrazide
CID 9580161
2,2'-oxybis[N'-(4-bromobenzylidene)acetohydrazide]
CID 5334121

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methylideneamino]-2-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methylideneamino]-2-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide (CID 2246974) is N-[(2-fluorophenyl)methylideneamino]-2-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methylideneamino]-2-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methylideneamino]-2-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide is O=C(COCC(=O)NN=Cc1ccccc1F)NN=Cc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methylideneamino]-2-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide?
The InChIKey is CKKGKSWGDZJDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O3/c19-15-7-3-1-5-13(15)9-21-23-17(25)11-27-12-18(26)24-22-10-14-6-2-4-8-16(14)20/h1-10H,11-12H2,(H,23,25)(H,24,26).
What are the key properties of N-[(2-fluorophenyl)methylideneamino]-2-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide?
N-[(2-fluorophenyl)methylideneamino]-2-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide has a molecular weight of 374.35 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methylideneamino]-2-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide is sourced from PubChem (CID 2246974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).