(1Z)-2-(3-chloroanilino)-N-(3-chlorophenyl)-2-oxoethanehydrazonoyl chloride

C14H10Cl3N3O — CID 10882442

IUPAC(1Z)-2-(3-chloroanilino)-N-(3-chlorophenyl)-2-oxoethanehydrazonoyl chloride
SMILESO=C(Nc1cccc(Cl)c1)/C(Cl)=N/Nc1cccc(Cl)c1
InChIInChI=1S/C14H10Cl3N3O/c15-9-3-1-5-11(7-9)18-14(21)13(17)20-19-12-6-2-4-10(16)8-12/h1-8,19H,(H,18,21)/b20-13-
InChIKeyYGJCDJFBNTZSPJ-MOSHPQCFSA-N
MW342.61 g/mol
LogP4.60
Rot. Bonds4

About (1Z)-2-(3-chloroanilino)-N-(3-chlorophenyl)-2-oxoethanehydrazonoyl chloride

(1Z)-2-(3-chloroanilino)-N-(3-chlorophenyl)-2-oxoethanehydrazonoyl chloride (PubChem CID 10882442) has the molecular formula C14H10Cl3N3O and a molecular weight of 342.61 g/mol. Its IUPAC name is (1Z)-2-(3-chloroanilino)-N-(3-chlorophenyl)-2-oxoethanehydrazonoyl chloride.

Molecular Properties

Compound Name(1Z)-2-(3-chloroanilino)-N-(3-chlorophenyl)-2-oxoethanehydrazonoyl chloride
PubChem CID10882442
Molecular FormulaC14H10Cl3N3O
Molecular Weight342.61 g/mol
Exact Mass340.99
IUPAC Name(1Z)-2-(3-chloroanilino)-N-(3-chlorophenyl)-2-oxoethanehydrazonoyl chloride
SMILESO=C(Nc1cccc(Cl)c1)/C(Cl)=N/Nc1cccc(Cl)c1
InChIInChI=1S/C14H10Cl3N3O/c15-9-3-1-5-11(7-9)18-14(21)13(17)20-19-12-6-2-4-10(16)8-12/h1-8,19H,(H,18,21)/b20-13-
InChIKeyYGJCDJFBNTZSPJ-MOSHPQCFSA-N
XLogP4.60
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.61
LogP ≤ 54.60
H-Bond Donors ≤ 52
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'}

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Related Compounds

(1Z)-2-(4-chloroanilino)-N-(4-chlorophenyl)-2-oxoethanehydrazonoyl chloride
CID 15626985
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
2-(3-chloroanilino)-1-oxoguanidine
CID 46183330
N-(3-chlorophenyl)-1-methylphosphanylformamide
CID 138970843
(2Z)-2-[(3-chlorophenyl)hydrazinylidene]-1,2-diphenylethanone
CID 6172850
N'-(3-chlorophenyl)-N-prop-2-enyloxamide
CID 2058074
2-(azepan-1-yl)-N-(3-chlorophenyl)-2-oxoacetamide
CID 47335488
2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
CID 2603
N-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide
CID 4249349
3-[[2-(3-chloroanilino)-2-oxoacetyl]amino]propyl-dimethylazanium
CID 7541412
N'-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)oxamide
CID 44996296

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-(3-chloroanilino)-N-(3-chlorophenyl)-2-oxoethanehydrazonoyl chloride?
The IUPAC name of (1Z)-2-(3-chloroanilino)-N-(3-chlorophenyl)-2-oxoethanehydrazonoyl chloride (CID 10882442) is (1Z)-2-(3-chloroanilino)-N-(3-chlorophenyl)-2-oxoethanehydrazonoyl chloride.
What is the SMILES notation for (1Z)-2-(3-chloroanilino)-N-(3-chlorophenyl)-2-oxoethanehydrazonoyl chloride?
The canonical SMILES for (1Z)-2-(3-chloroanilino)-N-(3-chlorophenyl)-2-oxoethanehydrazonoyl chloride is O=C(Nc1cccc(Cl)c1)/C(Cl)=N/Nc1cccc(Cl)c1.
What is the InChIKey of (1Z)-2-(3-chloroanilino)-N-(3-chlorophenyl)-2-oxoethanehydrazonoyl chloride?
The InChIKey is YGJCDJFBNTZSPJ-MOSHPQCFSA-N. The full InChI is InChI=1S/C14H10Cl3N3O/c15-9-3-1-5-11(7-9)18-14(21)13(17)20-19-12-6-2-4-10(16)8-12/h1-8,19H,(H,18,21)/b20-13-.
What are the key properties of (1Z)-2-(3-chloroanilino)-N-(3-chlorophenyl)-2-oxoethanehydrazonoyl chloride?
(1Z)-2-(3-chloroanilino)-N-(3-chlorophenyl)-2-oxoethanehydrazonoyl chloride has a molecular weight of 342.61 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-(3-chloroanilino)-N-(3-chlorophenyl)-2-oxoethanehydrazonoyl chloride is sourced from PubChem (CID 10882442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).