N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-morpholin-4-ylacetamide

C13H15ClFN3O2 — CID 94837867

IUPACN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)N/N=C\c1c(F)cccc1Cl
InChIInChI=1S/C13H15ClFN3O2/c14-11-2-1-3-12(15)10(11)8-16-17-13(19)9-18-4-6-20-7-5-18/h1-3,8H,4-7,9H2,(H,17,19)/b16-8-
InChIKeyZWFNHCBUTQOQCO-PXNMLYILSA-N
MW299.73 g/mol
LogP1.26
Rot. Bonds4

About N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-morpholin-4-ylacetamide

N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-morpholin-4-ylacetamide (PubChem CID 94837867) has the molecular formula C13H15ClFN3O2 and a molecular weight of 299.73 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-morpholin-4-ylacetamide
PubChem CID94837867
Molecular FormulaC13H15ClFN3O2
Molecular Weight299.73 g/mol
Exact Mass299.08
IUPAC NameN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)N/N=C\c1c(F)cccc1Cl
InChIInChI=1S/C13H15ClFN3O2/c14-11-2-1-3-12(15)10(11)8-16-17-13(19)9-18-4-6-20-7-5-18/h1-3,8H,4-7,9H2,(H,17,19)/b16-8-
InChIKeyZWFNHCBUTQOQCO-PXNMLYILSA-N
XLogP1.26
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 51.26
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 N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-morpholin-4-ylacetamide 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

N'-[(E)-(2-chlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 6889750
(E)-N'-benzylidene-2-morpholinoacetohydrazide
CID 9642745
1-Piperidineacetic acid, alpha-oxo-, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 5333302
2-morpholin-4-yl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 9593702
2-[(2E)-2-(2,6-dichlorobenzylidene)hydrazinyl]-N-[3-(morpholin-4-yl)propyl]-2-oxoacetamide
CID 9593901
2-[(2E)-2-(2-chloro-6-fluorobenzylidene)hydrazinyl]-2-oxo-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 9597875
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5906351
N'-[(E)-(4-chlorophenyl)methylidene]-2-(morpholin-4-yl)acetohydrazide
CID 9633104
N'-[(2-chloro-6-fluorophenyl)methylideneamino]-N-(oxolan-2-ylmethyl)oxamide
CID 3622128
2-[(2Z)-2-(2-chloro-6-fluorobenzylidene)hydrazinyl]-2-oxo-N-(propan-2-yl)acetamide
CID 6150522
2-[(2Z)-2-(2-chloro-6-fluorobenzylidene)hydrazinyl]-N,N-diethyl-2-oxoacetamide
CID 6293432
1-{N'-[(E)-(4-chlorophenyl)methylidene]hydrazinecarbonyl}-N-(2-methoxyethyl)formamide
CID 6109907

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-morpholin-4-ylacetamide (CID 94837867) is N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)N/N=C\c1c(F)cccc1Cl.
What is the InChIKey of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The InChIKey is ZWFNHCBUTQOQCO-PXNMLYILSA-N. The full InChI is InChI=1S/C13H15ClFN3O2/c14-11-2-1-3-12(15)10(11)8-16-17-13(19)9-18-4-6-20-7-5-18/h1-3,8H,4-7,9H2,(H,17,19)/b16-8-.
What are the key properties of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-morpholin-4-ylacetamide?
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-morpholin-4-ylacetamide has a molecular weight of 299.73 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 94837867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).