2,2,2-trichloro-N-[(4-chlorophenyl)-morpholin-4-ylmethylidene]ethanimidamide

C13H13Cl4N3O — CID 132531607

IUPAC2,2,2-trichloro-N-[(4-chlorophenyl)-morpholin-4-ylmethylidene]ethanimidamide
SMILES[H]/N=C(/N=C(/c1ccc(Cl)cc1)N1CCOCC1)C(Cl)(Cl)Cl
InChIInChI=1S/C13H13Cl4N3O/c14-10-3-1-9(2-4-10)11(19-12(18)13(15,16)17)20-5-7-21-8-6-20/h1-4,18H,5-8H2/b18-12+,19-11-
InChIKeySSJWZJCLZGNDEE-WTSOWOPBSA-N
MW369.08 g/mol
LogP3.77
Rot. Bonds1

About 2,2,2-trichloro-N-[(4-chlorophenyl)-morpholin-4-ylmethylidene]ethanimidamide

2,2,2-trichloro-N-[(4-chlorophenyl)-morpholin-4-ylmethylidene]ethanimidamide (PubChem CID 132531607) has the molecular formula C13H13Cl4N3O and a molecular weight of 369.08 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[(4-chlorophenyl)-morpholin-4-ylmethylidene]ethanimidamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[(4-chlorophenyl)-morpholin-4-ylmethylidene]ethanimidamide
PubChem CID132531607
Molecular FormulaC13H13Cl4N3O
Molecular Weight369.08 g/mol
Exact Mass366.98
IUPAC Name2,2,2-trichloro-N-[(4-chlorophenyl)-morpholin-4-ylmethylidene]ethanimidamide
SMILES[H]/N=C(/N=C(/c1ccc(Cl)cc1)N1CCOCC1)C(Cl)(Cl)Cl
InChIInChI=1S/C13H13Cl4N3O/c14-10-3-1-9(2-4-10)11(19-12(18)13(15,16)17)20-5-7-21-8-6-20/h1-4,18H,5-8H2/b18-12+,19-11-
InChIKeySSJWZJCLZGNDEE-WTSOWOPBSA-N
XLogP3.77
TPSA48.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.08
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[amino(phenyl)methylidene]-N'-(4-chlorophenyl)morpholine-4-carboximidamide
CID 70567672
(E)-1-(4-chlorophenyl)-3-morpholin-4-ylbut-2-en-1-one
CID 2290884
S-[2-(4-chlorophenyl)-2-oxoethyl] morpholine-4-carbothioate
CID 2726464
2-(4-chlorophenyl)-2-morpholin-4-ylethanimidamide
CID 91757020
(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073693
morpholin-4-yl(naphthalen-2-yl)methanimine
CID 63179433
N-(4-chlorophenyl)-N'-(trifluoromethylsulfonyl)morpholine-4-carboximidamide
CID 177488704
1-(4-chlorophenyl)-2-morpholin-4-ylethanethione
CID 141307432
(4-chlorophenyl)-(1,5,2-dioxazepan-2-yl)methanone
CID 141051954
(E)-1-(4-chlorophenyl)-2-morpholin-4-yl-3-phenylprop-2-en-1-one
CID 6372943
N'-[3-(4-chlorophenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide
CID 120663261
N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045422

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[(4-chlorophenyl)-morpholin-4-ylmethylidene]ethanimidamide?
The IUPAC name of 2,2,2-trichloro-N-[(4-chlorophenyl)-morpholin-4-ylmethylidene]ethanimidamide (CID 132531607) is 2,2,2-trichloro-N-[(4-chlorophenyl)-morpholin-4-ylmethylidene]ethanimidamide.
What is the SMILES notation for 2,2,2-trichloro-N-[(4-chlorophenyl)-morpholin-4-ylmethylidene]ethanimidamide?
The canonical SMILES for 2,2,2-trichloro-N-[(4-chlorophenyl)-morpholin-4-ylmethylidene]ethanimidamide is [H]/N=C(/N=C(/c1ccc(Cl)cc1)N1CCOCC1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-[(4-chlorophenyl)-morpholin-4-ylmethylidene]ethanimidamide?
The InChIKey is SSJWZJCLZGNDEE-WTSOWOPBSA-N. The full InChI is InChI=1S/C13H13Cl4N3O/c14-10-3-1-9(2-4-10)11(19-12(18)13(15,16)17)20-5-7-21-8-6-20/h1-4,18H,5-8H2/b18-12+,19-11-.
What are the key properties of 2,2,2-trichloro-N-[(4-chlorophenyl)-morpholin-4-ylmethylidene]ethanimidamide?
2,2,2-trichloro-N-[(4-chlorophenyl)-morpholin-4-ylmethylidene]ethanimidamide has a molecular weight of 369.08 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[(4-chlorophenyl)-morpholin-4-ylmethylidene]ethanimidamide is sourced from PubChem (CID 132531607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).