1-[(2-chloro-4-iodophenyl)methyl]-2-phenylhydrazine

C13H12ClIN2 — CID 169386761

IUPAC1-[(2-chloro-4-iodophenyl)methyl]-2-phenylhydrazine
SMILESClc1cc(I)ccc1CNNc1ccccc1
InChIInChI=1S/C13H12ClIN2/c14-13-8-11(15)7-6-10(13)9-16-17-12-4-2-1-3-5-12/h1-8,16-17H,9H2
InChIKeyBWYYAIZVJGXOAT-UHFFFAOYSA-N
MW358.61 g/mol
LogP4.06
Rot. Bonds4

About 1-[(2-chloro-4-iodophenyl)methyl]-2-phenylhydrazine

1-[(2-chloro-4-iodophenyl)methyl]-2-phenylhydrazine (PubChem CID 169386761) has the molecular formula C13H12ClIN2 and a molecular weight of 358.61 g/mol. Its IUPAC name is 1-[(2-chloro-4-iodophenyl)methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(2-chloro-4-iodophenyl)methyl]-2-phenylhydrazine
PubChem CID169386761
Molecular FormulaC13H12ClIN2
Molecular Weight358.61 g/mol
Exact Mass357.97
IUPAC Name1-[(2-chloro-4-iodophenyl)methyl]-2-phenylhydrazine
SMILESClc1cc(I)ccc1CNNc1ccccc1
InChIInChI=1S/C13H12ClIN2/c14-13-8-11(15)7-6-10(13)9-16-17-12-4-2-1-3-5-12/h1-8,16-17H,9H2
InChIKeyBWYYAIZVJGXOAT-UHFFFAOYSA-N
XLogP4.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.61
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-fluoro-5-iodophenyl)methyl]-2-phenylhydrazine
CID 169384471
1-[[4-iodo-2-(trifluoromethyl)phenyl]methyl]-2-phenylhydrazine
CID 169386753
1-[(2-chloro-4-fluoro-5-methylphenyl)methyl]-2-phenylhydrazine
CID 169386722
1-[(4-bromo-2,3-dichlorophenyl)methyl]-2-phenylhydrazine
CID 169385494
N-[(2-chloro-4-iodophenyl)methyl]propan-2-amine
CID 130669925
1-[(2,4-dimethylphenyl)methyl]-2-phenylhydrazine
CID 169384445
2-chloro-1-ethyl-4-iodobenzene
CID 71044998
1-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385645
1-[(4-chlorophenyl)methyl]-2-phenylhydrazine
CID 70410939
1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386421
1-[(2,3-difluorophenyl)methyl]-2-phenylhydrazine
CID 169384437
1-[(2-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
CID 169385814

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-iodophenyl)methyl]-2-phenylhydrazine?
The IUPAC name of 1-[(2-chloro-4-iodophenyl)methyl]-2-phenylhydrazine (CID 169386761) is 1-[(2-chloro-4-iodophenyl)methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(2-chloro-4-iodophenyl)methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[(2-chloro-4-iodophenyl)methyl]-2-phenylhydrazine is Clc1cc(I)ccc1CNNc1ccccc1.
What is the InChIKey of 1-[(2-chloro-4-iodophenyl)methyl]-2-phenylhydrazine?
The InChIKey is BWYYAIZVJGXOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClIN2/c14-13-8-11(15)7-6-10(13)9-16-17-12-4-2-1-3-5-12/h1-8,16-17H,9H2.
What are the key properties of 1-[(2-chloro-4-iodophenyl)methyl]-2-phenylhydrazine?
1-[(2-chloro-4-iodophenyl)methyl]-2-phenylhydrazine has a molecular weight of 358.61 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-iodophenyl)methyl]-2-phenylhydrazine is sourced from PubChem (CID 169386761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).