methyl N-[2-[[(E)-1-(4-fluorophenyl)ethylideneamino]oxymethyl]phenyl]carbamate

C17H17FN2O3 — CID 20667526

IUPACmethyl N-[2-[[(E)-1-(4-fluorophenyl)ethylideneamino]oxymethyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1CO/N=C(\C)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3/c1-12(13-7-9-15(18)10-8-13)20-23-11-14-5-3-4-6-16(14)19-17(21)22-2/h3-10H,11H2,1-2H3,(H,19,21)/b20-12+
InChIKeyLJVBEGBFJYACIY-UDWIEESQSA-N
MW316.33 g/mol
LogP3.94
Rot. Bonds5

About methyl N-[2-[[(E)-1-(4-fluorophenyl)ethylideneamino]oxymethyl]phenyl]carbamate

methyl N-[2-[[(E)-1-(4-fluorophenyl)ethylideneamino]oxymethyl]phenyl]carbamate (PubChem CID 20667526) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is methyl N-[2-[[(E)-1-(4-fluorophenyl)ethylideneamino]oxymethyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[(E)-1-(4-fluorophenyl)ethylideneamino]oxymethyl]phenyl]carbamate
PubChem CID20667526
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Namemethyl N-[2-[[(E)-1-(4-fluorophenyl)ethylideneamino]oxymethyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1CO/N=C(\C)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3/c1-12(13-7-9-15(18)10-8-13)20-23-11-14-5-3-4-6-16(14)19-17(21)22-2/h3-10H,11H2,1-2H3,(H,19,21)/b20-12+
InChIKeyLJVBEGBFJYACIY-UDWIEESQSA-N
XLogP3.94
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl N-[2-[[(E)-1-(4-fluorophenyl)ethylideneamino]oxymethyl]phenyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[(E)-1-(4-fluorophenyl)ethylideneamino]oxymethyl]phenyl]carbamate?
The IUPAC name of methyl N-[2-[[(E)-1-(4-fluorophenyl)ethylideneamino]oxymethyl]phenyl]carbamate (CID 20667526) is methyl N-[2-[[(E)-1-(4-fluorophenyl)ethylideneamino]oxymethyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[2-[[(E)-1-(4-fluorophenyl)ethylideneamino]oxymethyl]phenyl]carbamate?
The canonical SMILES for methyl N-[2-[[(E)-1-(4-fluorophenyl)ethylideneamino]oxymethyl]phenyl]carbamate is COC(=O)Nc1ccccc1CO/N=C(\C)c1ccc(F)cc1.
What is the InChIKey of methyl N-[2-[[(E)-1-(4-fluorophenyl)ethylideneamino]oxymethyl]phenyl]carbamate?
The InChIKey is LJVBEGBFJYACIY-UDWIEESQSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-12(13-7-9-15(18)10-8-13)20-23-11-14-5-3-4-6-16(14)19-17(21)22-2/h3-10H,11H2,1-2H3,(H,19,21)/b20-12+.
What are the key properties of methyl N-[2-[[(E)-1-(4-fluorophenyl)ethylideneamino]oxymethyl]phenyl]carbamate?
methyl N-[2-[[(E)-1-(4-fluorophenyl)ethylideneamino]oxymethyl]phenyl]carbamate has a molecular weight of 316.33 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[(E)-1-(4-fluorophenyl)ethylideneamino]oxymethyl]phenyl]carbamate is sourced from PubChem (CID 20667526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).