ethyl N-[1-(2-fluorophenyl)ethylideneamino]carbamate

C11H13FN2O2 — CID 84924062

IUPACethyl N-[1-(2-fluorophenyl)ethylideneamino]carbamate
SMILESCCOC(=O)NN=C(C)c1ccccc1F
InChIInChI=1S/C11H13FN2O2/c1-3-16-11(15)14-13-8(2)9-6-4-5-7-10(9)12/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyAACAMWSFARMNMD-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.30
Rot. Bonds3

About ethyl N-[1-(2-fluorophenyl)ethylideneamino]carbamate

ethyl N-[1-(2-fluorophenyl)ethylideneamino]carbamate (PubChem CID 84924062) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is ethyl N-[1-(2-fluorophenyl)ethylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(2-fluorophenyl)ethylideneamino]carbamate
PubChem CID84924062
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Nameethyl N-[1-(2-fluorophenyl)ethylideneamino]carbamate
SMILESCCOC(=O)NN=C(C)c1ccccc1F
InChIInChI=1S/C11H13FN2O2/c1-3-16-11(15)14-13-8(2)9-6-4-5-7-10(9)12/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyAACAMWSFARMNMD-UHFFFAOYSA-N
XLogP2.30
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl N-[1-(2-fluorophenyl)ethylideneamino]carbamate 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

2-[1-(2,6-Difluorophenyl)ethylidene]hydrazine-1-carboxamide
CID 9583431
methyl 2-[(E)-phenylmethylidene]-1-hydrazinecarboxylate
CID 9557398
2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-phenyl-
CID 112849
Ethyl 2-(4-phenylcyclohexylidene)hydrazinecarboxylate
CID 4564048
Ethyl 2-(3-phenyl-2-propen-1-ylidene)hydrazinecarboxylate
CID 2164544
ethyl N-[1-[4-[N-(ethoxycarbonylamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]carbamate
CID 6831558
ethyl N-[(E)-(2,4-difluorophenyl)methylideneamino]carbamate
CID 6902348
Ethyl 2-(1-methyl-3-phenyl-2-propenylidene)hydrazinecarboxylate
CID 9640969
Methyl 2-(4-phenylcyclohexylidene)hydrazinecarboxylate
CID 4424884
Ethyl 2-benzylidenehydrazinecarboxylate
CID 5368159
US11427553, Example 83
CID 137462658
ethyl N-[(E)-[cyclohexyl(phenyl)methylidene]amino]carbamate
CID 6046306

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(2-fluorophenyl)ethylideneamino]carbamate?
The IUPAC name of ethyl N-[1-(2-fluorophenyl)ethylideneamino]carbamate (CID 84924062) is ethyl N-[1-(2-fluorophenyl)ethylideneamino]carbamate.
What is the SMILES notation for ethyl N-[1-(2-fluorophenyl)ethylideneamino]carbamate?
The canonical SMILES for ethyl N-[1-(2-fluorophenyl)ethylideneamino]carbamate is CCOC(=O)NN=C(C)c1ccccc1F.
What is the InChIKey of ethyl N-[1-(2-fluorophenyl)ethylideneamino]carbamate?
The InChIKey is AACAMWSFARMNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-3-16-11(15)14-13-8(2)9-6-4-5-7-10(9)12/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl N-[1-(2-fluorophenyl)ethylideneamino]carbamate?
ethyl N-[1-(2-fluorophenyl)ethylideneamino]carbamate has a molecular weight of 224.23 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(2-fluorophenyl)ethylideneamino]carbamate is sourced from PubChem (CID 84924062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).