N',N'-dibenzyl-2-chlorobenzohydrazide

C21H19ClN2O — CID 3719851

IUPACN',N'-dibenzyl-2-chlorobenzohydrazide
SMILESO=C(NN(Cc1ccccc1)Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C21H19ClN2O/c22-20-14-8-7-13-19(20)21(25)23-24(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,23,25)
InChIKeyJMROYHDODCYPMG-UHFFFAOYSA-N
MW350.85 g/mol
LogP4.69
Rot. Bonds6

About N',N'-dibenzyl-2-chlorobenzohydrazide

N',N'-dibenzyl-2-chlorobenzohydrazide (PubChem CID 3719851) has the molecular formula C21H19ClN2O and a molecular weight of 350.85 g/mol. Its IUPAC name is N',N'-dibenzyl-2-chlorobenzohydrazide.

Molecular Properties

Compound NameN',N'-dibenzyl-2-chlorobenzohydrazide
PubChem CID3719851
Molecular FormulaC21H19ClN2O
Molecular Weight350.85 g/mol
Exact Mass350.12
IUPAC NameN',N'-dibenzyl-2-chlorobenzohydrazide
SMILESO=C(NN(Cc1ccccc1)Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C21H19ClN2O/c22-20-14-8-7-13-19(20)21(25)23-24(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,23,25)
InChIKeyJMROYHDODCYPMG-UHFFFAOYSA-N
XLogP4.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-dibenzyl-2-chlorobenzohydrazide?
The IUPAC name of N',N'-dibenzyl-2-chlorobenzohydrazide (CID 3719851) is N',N'-dibenzyl-2-chlorobenzohydrazide.
What is the SMILES notation for N',N'-dibenzyl-2-chlorobenzohydrazide?
The canonical SMILES for N',N'-dibenzyl-2-chlorobenzohydrazide is O=C(NN(Cc1ccccc1)Cc1ccccc1)c1ccccc1Cl.
What is the InChIKey of N',N'-dibenzyl-2-chlorobenzohydrazide?
The InChIKey is JMROYHDODCYPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O/c22-20-14-8-7-13-19(20)21(25)23-24(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,23,25).
What are the key properties of N',N'-dibenzyl-2-chlorobenzohydrazide?
N',N'-dibenzyl-2-chlorobenzohydrazide has a molecular weight of 350.85 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibenzyl-2-chlorobenzohydrazide is sourced from PubChem (CID 3719851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).