N-phenylmorpholine-4-carboximidoyl chloride

C11H13ClN2O — CID 9361718

IUPACN-phenylmorpholine-4-carboximidoyl chloride
SMILESCl/C(=N\c1ccccc1)N1CCOCC1
InChIInChI=1S/C11H13ClN2O/c12-11(14-6-8-15-9-7-14)13-10-4-2-1-3-5-10/h1-5H,6-9H2/b13-11+
InChIKeyGCZSWGICQLWNQX-ACCUITESSA-N
MW224.69 g/mol
LogP2.25
Rot. Bonds1

About N-phenylmorpholine-4-carboximidoyl chloride

N-phenylmorpholine-4-carboximidoyl chloride (PubChem CID 9361718) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is N-phenylmorpholine-4-carboximidoyl chloride.

Molecular Properties

Compound NameN-phenylmorpholine-4-carboximidoyl chloride
PubChem CID9361718
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC NameN-phenylmorpholine-4-carboximidoyl chloride
SMILESCl/C(=N\c1ccccc1)N1CCOCC1
InChIInChI=1S/C11H13ClN2O/c12-11(14-6-8-15-9-7-14)13-10-4-2-1-3-5-10/h1-5H,6-9H2/b13-11+
InChIKeyGCZSWGICQLWNQX-ACCUITESSA-N
XLogP2.25
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-naphthalen-2-ylmorpholine-4-carboximidoyl chloride
CID 71370220
CID 146162313
CID 146162313
N,N'-diphenylmorpholine-4-carboximidamide;hydroiodide
CID 17383253
2-(C-morpholin-4-yl-N-phenylcarbonimidoyl)sulfanylacetate
CID 9484360
N-[1-(dimethylamino)propylidene]-N'-phenylmorpholine-4-carboximidamide
CID 54126746
N-[amino(phenyl)methylidene]-N'-(4-chlorophenyl)morpholine-4-carboximidamide
CID 70567672
N-[1-(dimethylamino)-2-phenylethylidene]-N'-phenylmorpholine-4-carboximidamide
CID 54319746
4-morpholin-4-yl-N-phenylpyridine-2-carboximidoyl chloride;hydrochloride
CID 15561769
N-[amino(pyridin-2-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide;hydrochloride
CID 70531275
ethyl N-(C,N-diphenylcarbonimidoyl)morpholine-4-carboximidothioate
CID 15723315
N,N'-bis(4-methylphenyl)-1,2-dimorpholin-4-ylethane-1,2-diimine
CID 1020625
N-[amino(naphthalen-1-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide
CID 70532858

Frequently Asked Questions

What is the IUPAC name of N-phenylmorpholine-4-carboximidoyl chloride?
The IUPAC name of N-phenylmorpholine-4-carboximidoyl chloride (CID 9361718) is N-phenylmorpholine-4-carboximidoyl chloride.
What is the SMILES notation for N-phenylmorpholine-4-carboximidoyl chloride?
The canonical SMILES for N-phenylmorpholine-4-carboximidoyl chloride is Cl/C(=N\c1ccccc1)N1CCOCC1.
What is the InChIKey of N-phenylmorpholine-4-carboximidoyl chloride?
The InChIKey is GCZSWGICQLWNQX-ACCUITESSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-11(14-6-8-15-9-7-14)13-10-4-2-1-3-5-10/h1-5H,6-9H2/b13-11+.
What are the key properties of N-phenylmorpholine-4-carboximidoyl chloride?
N-phenylmorpholine-4-carboximidoyl chloride has a molecular weight of 224.69 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmorpholine-4-carboximidoyl chloride is sourced from PubChem (CID 9361718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).