(1Z)-4-iodo-N-(4-iodophenyl)benzenecarbohydrazonoyl chloride

C13H9ClI2N2 — CID 177387067

IUPAC(1Z)-4-iodo-N-(4-iodophenyl)benzenecarbohydrazonoyl chloride
SMILESCl/C(=N\Nc1ccc(I)cc1)c1ccc(I)cc1
InChIInChI=1S/C13H9ClI2N2/c14-13(9-1-3-10(15)4-2-9)18-17-12-7-5-11(16)6-8-12/h1-8,17H/b18-13-
InChIKeyZJTXDWKYDKSEAO-AQTBWJFISA-N
MW482.49 g/mol
LogP4.91
Rot. Bonds3

About (1Z)-4-iodo-N-(4-iodophenyl)benzenecarbohydrazonoyl chloride

(1Z)-4-iodo-N-(4-iodophenyl)benzenecarbohydrazonoyl chloride (PubChem CID 177387067) has the molecular formula C13H9ClI2N2 and a molecular weight of 482.49 g/mol. Its IUPAC name is (1Z)-4-iodo-N-(4-iodophenyl)benzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name(1Z)-4-iodo-N-(4-iodophenyl)benzenecarbohydrazonoyl chloride
PubChem CID177387067
Molecular FormulaC13H9ClI2N2
Molecular Weight482.49 g/mol
Exact Mass481.85
IUPAC Name(1Z)-4-iodo-N-(4-iodophenyl)benzenecarbohydrazonoyl chloride
SMILESCl/C(=N\Nc1ccc(I)cc1)c1ccc(I)cc1
InChIInChI=1S/C13H9ClI2N2/c14-13(9-1-3-10(15)4-2-9)18-17-12-7-5-11(16)6-8-12/h1-8,17H/b18-13-
InChIKeyZJTXDWKYDKSEAO-AQTBWJFISA-N
XLogP4.91
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.49
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-phenylbenzenecarbohydrazonoyl chloride
CID 7290563
(E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride
CID 11207300
(1E)-4-bromo-N-phenylbenzenecarbohydrazonoyl chloride
CID 5360801
(1E)-N-hydroxy-4-iodobenzenecarboximidoyl chloride
CID 91621384
N-phenyl-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride
CID 86046826
(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride
CID 5360802
4-iodo-N-(1-pyridin-4-ylethylideneamino)aniline
CID 72535739
N'-anilino-4-iodo-N-phenyliminobenzenecarboximidamide
CID 171377884
N-(4-chlorophenyl)ethanehydrazonoyl chloride
CID 86039764
2-amino-N-(4-iodoanilino)-2-sulfanylideneethanimidoyl cyanide
CID 922440
4-chloro-N-(1-phenylethylideneamino)aniline
CID 78572712
4-methyl-N-phenyl-3-(trifluoromethyl)benzenecarbohydrazonoyl chloride
CID 154203611

Frequently Asked Questions

What is the IUPAC name of (1Z)-4-iodo-N-(4-iodophenyl)benzenecarbohydrazonoyl chloride?
The IUPAC name of (1Z)-4-iodo-N-(4-iodophenyl)benzenecarbohydrazonoyl chloride (CID 177387067) is (1Z)-4-iodo-N-(4-iodophenyl)benzenecarbohydrazonoyl chloride.
What is the SMILES notation for (1Z)-4-iodo-N-(4-iodophenyl)benzenecarbohydrazonoyl chloride?
The canonical SMILES for (1Z)-4-iodo-N-(4-iodophenyl)benzenecarbohydrazonoyl chloride is Cl/C(=N\Nc1ccc(I)cc1)c1ccc(I)cc1.
What is the InChIKey of (1Z)-4-iodo-N-(4-iodophenyl)benzenecarbohydrazonoyl chloride?
The InChIKey is ZJTXDWKYDKSEAO-AQTBWJFISA-N. The full InChI is InChI=1S/C13H9ClI2N2/c14-13(9-1-3-10(15)4-2-9)18-17-12-7-5-11(16)6-8-12/h1-8,17H/b18-13-.
What are the key properties of (1Z)-4-iodo-N-(4-iodophenyl)benzenecarbohydrazonoyl chloride?
(1Z)-4-iodo-N-(4-iodophenyl)benzenecarbohydrazonoyl chloride has a molecular weight of 482.49 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-4-iodo-N-(4-iodophenyl)benzenecarbohydrazonoyl chloride is sourced from PubChem (CID 177387067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).