(NE,1E)-N-[chloro-(4-chlorophenoxy)methylidene]-1-(4-chlorophenoxy)methanehydrazonoyl chloride

C14H8Cl4N2O2 — CID 11326398

IUPAC(NE,1E)-N-[chloro-(4-chlorophenoxy)methylidene]-1-(4-chlorophenoxy)methanehydrazonoyl chloride
SMILESCl/C(=N/N=C(/Cl)Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H8Cl4N2O2/c15-9-1-5-11(6-2-9)21-13(17)19-20-14(18)22-12-7-3-10(16)4-8-12/h1-8H/b19-13-,20-14-
InChIKeyQKHPGUPYHZQDCE-AXPXABNXSA-N
MW378.04 g/mol
LogP5.56
Rot. Bonds3

About (NE,1E)-N-[chloro-(4-chlorophenoxy)methylidene]-1-(4-chlorophenoxy)methanehydrazonoyl chloride

(NE,1E)-N-[chloro-(4-chlorophenoxy)methylidene]-1-(4-chlorophenoxy)methanehydrazonoyl chloride (PubChem CID 11326398) has the molecular formula C14H8Cl4N2O2 and a molecular weight of 378.04 g/mol. Its IUPAC name is (NE,1E)-N-[chloro-(4-chlorophenoxy)methylidene]-1-(4-chlorophenoxy)methanehydrazonoyl chloride.

Molecular Properties

Compound Name(NE,1E)-N-[chloro-(4-chlorophenoxy)methylidene]-1-(4-chlorophenoxy)methanehydrazonoyl chloride
PubChem CID11326398
Molecular FormulaC14H8Cl4N2O2
Molecular Weight378.04 g/mol
Exact Mass375.93
IUPAC Name(NE,1E)-N-[chloro-(4-chlorophenoxy)methylidene]-1-(4-chlorophenoxy)methanehydrazonoyl chloride
SMILESCl/C(=N/N=C(/Cl)Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H8Cl4N2O2/c15-9-1-5-11(6-2-9)21-13(17)19-20-14(18)22-12-7-3-10(16)4-8-12/h1-8H/b19-13-,20-14-
InChIKeyQKHPGUPYHZQDCE-AXPXABNXSA-N
XLogP5.56
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.04
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(4-chlorophenoxy)methanimine
CID 15716338
O-(4-chlorophenyl) 2-chloro-2-oxoethanethioate
CID 168864372
(4-chlorophenyl) acetate
CID 13410
1-[(E)-but-2-en-2-yl]oxy-4-chlorobenzene
CID 143390143
(4-chlorophenyl) N'-cyanocarbamimidate
CID 12870881
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
(4-chlorophenyl) 2-oxopropanoate
CID 22420053
(4-chlorophenyl) cycloprop-2-ene-1-carboxylate
CID 175603211
2-(4-chlorophenoxy)-3-hydroxyprop-2-enal
CID 3569705
1-chloro-4-(1-cyclobutylideneethoxy)benzene
CID 171524115
(4-chlorophenyl) 2-[4-[2-(4-chlorophenoxy)-2-oxoethoxy]phenoxy]acetate
CID 10503577
N-[[4-(4-chlorophenoxy)phenyl]methylidene]hydroxylamine
CID 20987314

Frequently Asked Questions

What is the IUPAC name of (NE,1E)-N-[chloro-(4-chlorophenoxy)methylidene]-1-(4-chlorophenoxy)methanehydrazonoyl chloride?
The IUPAC name of (NE,1E)-N-[chloro-(4-chlorophenoxy)methylidene]-1-(4-chlorophenoxy)methanehydrazonoyl chloride (CID 11326398) is (NE,1E)-N-[chloro-(4-chlorophenoxy)methylidene]-1-(4-chlorophenoxy)methanehydrazonoyl chloride.
What is the SMILES notation for (NE,1E)-N-[chloro-(4-chlorophenoxy)methylidene]-1-(4-chlorophenoxy)methanehydrazonoyl chloride?
The canonical SMILES for (NE,1E)-N-[chloro-(4-chlorophenoxy)methylidene]-1-(4-chlorophenoxy)methanehydrazonoyl chloride is Cl/C(=N/N=C(/Cl)Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1.
What is the InChIKey of (NE,1E)-N-[chloro-(4-chlorophenoxy)methylidene]-1-(4-chlorophenoxy)methanehydrazonoyl chloride?
The InChIKey is QKHPGUPYHZQDCE-AXPXABNXSA-N. The full InChI is InChI=1S/C14H8Cl4N2O2/c15-9-1-5-11(6-2-9)21-13(17)19-20-14(18)22-12-7-3-10(16)4-8-12/h1-8H/b19-13-,20-14-.
What are the key properties of (NE,1E)-N-[chloro-(4-chlorophenoxy)methylidene]-1-(4-chlorophenoxy)methanehydrazonoyl chloride?
(NE,1E)-N-[chloro-(4-chlorophenoxy)methylidene]-1-(4-chlorophenoxy)methanehydrazonoyl chloride has a molecular weight of 378.04 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,1E)-N-[chloro-(4-chlorophenoxy)methylidene]-1-(4-chlorophenoxy)methanehydrazonoyl chloride is sourced from PubChem (CID 11326398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).