N'-tert-butyl-N'-[(2-iodophenyl)methyl]benzohydrazide

C18H21IN2O — CID 23192794

IUPACN'-tert-butyl-N'-[(2-iodophenyl)methyl]benzohydrazide
SMILESCC(C)(C)N(Cc1ccccc1I)NC(=O)c1ccccc1
InChIInChI=1S/C18H21IN2O/c1-18(2,3)21(13-15-11-7-8-12-16(15)19)20-17(22)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,20,22)
InChIKeyWGOBNTDKTUEQTF-UHFFFAOYSA-N
MW408.28 g/mol
LogP4.24
Rot. Bonds4

About N'-tert-butyl-N'-[(2-iodophenyl)methyl]benzohydrazide

N'-tert-butyl-N'-[(2-iodophenyl)methyl]benzohydrazide (PubChem CID 23192794) has the molecular formula C18H21IN2O and a molecular weight of 408.28 g/mol. Its IUPAC name is N'-tert-butyl-N'-[(2-iodophenyl)methyl]benzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N'-[(2-iodophenyl)methyl]benzohydrazide
PubChem CID23192794
Molecular FormulaC18H21IN2O
Molecular Weight408.28 g/mol
Exact Mass408.07
IUPAC NameN'-tert-butyl-N'-[(2-iodophenyl)methyl]benzohydrazide
SMILESCC(C)(C)N(Cc1ccccc1I)NC(=O)c1ccccc1
InChIInChI=1S/C18H21IN2O/c1-18(2,3)21(13-15-11-7-8-12-16(15)19)20-17(22)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,20,22)
InChIKeyWGOBNTDKTUEQTF-UHFFFAOYSA-N
XLogP4.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.28
LogP ≤ 54.24
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-[(2-iodophenyl)methyl]benzohydrazide?
The IUPAC name of N'-tert-butyl-N'-[(2-iodophenyl)methyl]benzohydrazide (CID 23192794) is N'-tert-butyl-N'-[(2-iodophenyl)methyl]benzohydrazide.
What is the SMILES notation for N'-tert-butyl-N'-[(2-iodophenyl)methyl]benzohydrazide?
The canonical SMILES for N'-tert-butyl-N'-[(2-iodophenyl)methyl]benzohydrazide is CC(C)(C)N(Cc1ccccc1I)NC(=O)c1ccccc1.
What is the InChIKey of N'-tert-butyl-N'-[(2-iodophenyl)methyl]benzohydrazide?
The InChIKey is WGOBNTDKTUEQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21IN2O/c1-18(2,3)21(13-15-11-7-8-12-16(15)19)20-17(22)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,20,22).
What are the key properties of N'-tert-butyl-N'-[(2-iodophenyl)methyl]benzohydrazide?
N'-tert-butyl-N'-[(2-iodophenyl)methyl]benzohydrazide has a molecular weight of 408.28 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-[(2-iodophenyl)methyl]benzohydrazide is sourced from PubChem (CID 23192794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).