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

C18H16F2N4O3 — CID 5340045

IUPACN-[(E)-(2-fluorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
SMILESO=C(COCC(=O)N/N=C/c1ccccc1F)N/N=C/c1ccccc1F
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)/b21-9+,22-10+
InChIKeyCKKGKSWGDZJDQQ-VGENTYGXSA-N
MW374.35 g/mol
LogP1.58
Rot. Bonds8

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

N-[(E)-(2-fluorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide (PubChem CID 5340045) has the molecular formula C18H16F2N4O3 and a molecular weight of 374.35 g/mol. Its IUPAC name is N-[(E)-(2-fluorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-fluorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
PubChem CID5340045
Molecular FormulaC18H16F2N4O3
Molecular Weight374.35 g/mol
Exact Mass374.12
IUPAC NameN-[(E)-(2-fluorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
SMILESO=C(COCC(=O)N/N=C/c1ccccc1F)N/N=C/c1ccccc1F
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)/b21-9+,22-10+
InChIKeyCKKGKSWGDZJDQQ-VGENTYGXSA-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,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide
CID 4059659
[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 117060553
2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
CID 19189587
2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 3955883
2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 5153372
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
N-[(2-fluorophenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19176108
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160
N-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 2695035
N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 674709
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 5404184
2-[(E)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 6911092

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide?
The IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide (CID 5340045) is N-[(E)-(2-fluorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide.
What is the SMILES notation for N-[(E)-(2-fluorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide?
The canonical SMILES for N-[(E)-(2-fluorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide is O=C(COCC(=O)N/N=C/c1ccccc1F)N/N=C/c1ccccc1F.
What is the InChIKey of N-[(E)-(2-fluorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide?
The InChIKey is CKKGKSWGDZJDQQ-VGENTYGXSA-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)/b21-9+,22-10+.
What are the key properties of N-[(E)-(2-fluorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide?
N-[(E)-(2-fluorophenyl)methylideneamino]-2-[2-[(2E)-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-[(E)-(2-fluorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide is sourced from PubChem (CID 5340045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).