N',N'-dibenzyl-3-cyanobenzohydrazide

C22H19N3O — CID 9293877

IUPACN',N'-dibenzyl-3-cyanobenzohydrazide
SMILESN#Cc1cccc(C(=O)NN(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C22H19N3O/c23-15-20-12-7-13-21(14-20)22(26)24-25(16-18-8-3-1-4-9-18)17-19-10-5-2-6-11-19/h1-14H,16-17H2,(H,24,26)
InChIKeyLHWYQDUUAHNMOE-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.91
Rot. Bonds6

About N',N'-dibenzyl-3-cyanobenzohydrazide

N',N'-dibenzyl-3-cyanobenzohydrazide (PubChem CID 9293877) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is N',N'-dibenzyl-3-cyanobenzohydrazide.

Molecular Properties

Compound NameN',N'-dibenzyl-3-cyanobenzohydrazide
PubChem CID9293877
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC NameN',N'-dibenzyl-3-cyanobenzohydrazide
SMILESN#Cc1cccc(C(=O)NN(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C22H19N3O/c23-15-20-12-7-13-21(14-20)22(26)24-25(16-18-8-3-1-4-9-18)17-19-10-5-2-6-11-19/h1-14H,16-17H2,(H,24,26)
InChIKeyLHWYQDUUAHNMOE-UHFFFAOYSA-N
XLogP3.91
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-(azanylidyne(113C)methyl)(13C)benzoic acid
CID 76973042
3-cyano-N-[3-(N-methylanilino)propyl]benzamide
CID 24708607
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
3-[(dibenzylamino)methyl]benzonitrile
CID 39161516
7-[(3-cyanobenzoyl)amino]heptanoic acid
CID 24707354
3-cyanobenzoic acid;silver
CID 88821173
2-[(3-cyanophenyl)methyl-[[4-[3-(3-phenylpropylcarbamoyl)phenyl]phenyl]methyl]amino]-2-oxoacetic acid
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N-(4-amino-4-oxobutyl)-3-cyanobenzamide
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3-[[(3-cyanophenyl)methyl-methylamino]methyl]benzoic acid
CID 62970028

Frequently Asked Questions

What is the IUPAC name of N',N'-dibenzyl-3-cyanobenzohydrazide?
The IUPAC name of N',N'-dibenzyl-3-cyanobenzohydrazide (CID 9293877) is N',N'-dibenzyl-3-cyanobenzohydrazide.
What is the SMILES notation for N',N'-dibenzyl-3-cyanobenzohydrazide?
The canonical SMILES for N',N'-dibenzyl-3-cyanobenzohydrazide is N#Cc1cccc(C(=O)NN(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of N',N'-dibenzyl-3-cyanobenzohydrazide?
The InChIKey is LHWYQDUUAHNMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c23-15-20-12-7-13-21(14-20)22(26)24-25(16-18-8-3-1-4-9-18)17-19-10-5-2-6-11-19/h1-14H,16-17H2,(H,24,26).
What are the key properties of N',N'-dibenzyl-3-cyanobenzohydrazide?
N',N'-dibenzyl-3-cyanobenzohydrazide has a molecular weight of 341.41 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibenzyl-3-cyanobenzohydrazide is sourced from PubChem (CID 9293877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).