ethyl (2E)-2-amino-2-[[2-(3-fluorophenyl)acetyl]hydrazinylidene]acetate

C12H14FN3O3 — CID 90344506

IUPACethyl (2E)-2-amino-2-[[2-(3-fluorophenyl)acetyl]hydrazinylidene]acetate
SMILESCCOC(=O)/C(N)=N\NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C12H14FN3O3/c1-2-19-12(18)11(14)16-15-10(17)7-8-4-3-5-9(13)6-8/h3-6H,2,7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyWNMMKCWUDGKINQ-UHFFFAOYSA-N
MW267.26 g/mol
LogP0.32
Rot. Bonds4

About ethyl (2E)-2-amino-2-[[2-(3-fluorophenyl)acetyl]hydrazinylidene]acetate

ethyl (2E)-2-amino-2-[[2-(3-fluorophenyl)acetyl]hydrazinylidene]acetate (PubChem CID 90344506) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is ethyl (2E)-2-amino-2-[[2-(3-fluorophenyl)acetyl]hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-amino-2-[[2-(3-fluorophenyl)acetyl]hydrazinylidene]acetate
PubChem CID90344506
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Nameethyl (2E)-2-amino-2-[[2-(3-fluorophenyl)acetyl]hydrazinylidene]acetate
SMILESCCOC(=O)/C(N)=N\NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C12H14FN3O3/c1-2-19-12(18)11(14)16-15-10(17)7-8-4-3-5-9(13)6-8/h3-6H,2,7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyWNMMKCWUDGKINQ-UHFFFAOYSA-N
XLogP0.32
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl (2E)-2-amino-2-[[2-(3-fluorophenyl)acetyl]hydrazinylidene]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Z)-(1-amino-2-ethoxy-2-oxoethylidene)amino] 3-fluorobenzoate
CID 178138720
ethyl 2-amino-2-[(2-fluorobenzoyl)hydrazinylidene]acetate
CID 174974451
N-(2-amino-2-oxoethoxy)-2-(3-fluorophenyl)acetamide
CID 112551000
N-[2-[(N'-butylcarbamimidoyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 111092010
2-(3-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 78800383
propyl 2-(3-fluorophenyl)acetate
CID 43389577
N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide
CID 119112923
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111089416
N-[2-[[amino-(4-methylanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 111092034
methyl 3-[[2-(3-fluorophenyl)acetyl]amino]-2-iodopropanoate
CID 103493227
2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate
CID 151755820
N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide
CID 111092007

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-amino-2-[[2-(3-fluorophenyl)acetyl]hydrazinylidene]acetate?
The IUPAC name of ethyl (2E)-2-amino-2-[[2-(3-fluorophenyl)acetyl]hydrazinylidene]acetate (CID 90344506) is ethyl (2E)-2-amino-2-[[2-(3-fluorophenyl)acetyl]hydrazinylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-amino-2-[[2-(3-fluorophenyl)acetyl]hydrazinylidene]acetate?
The canonical SMILES for ethyl (2E)-2-amino-2-[[2-(3-fluorophenyl)acetyl]hydrazinylidene]acetate is CCOC(=O)/C(N)=N\NC(=O)Cc1cccc(F)c1.
What is the InChIKey of ethyl (2E)-2-amino-2-[[2-(3-fluorophenyl)acetyl]hydrazinylidene]acetate?
The InChIKey is WNMMKCWUDGKINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c1-2-19-12(18)11(14)16-15-10(17)7-8-4-3-5-9(13)6-8/h3-6H,2,7H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of ethyl (2E)-2-amino-2-[[2-(3-fluorophenyl)acetyl]hydrazinylidene]acetate?
ethyl (2E)-2-amino-2-[[2-(3-fluorophenyl)acetyl]hydrazinylidene]acetate has a molecular weight of 267.26 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-amino-2-[[2-(3-fluorophenyl)acetyl]hydrazinylidene]acetate is sourced from PubChem (CID 90344506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).