N',N'-dibenzyl-2-bromobenzohydrazide

C21H19BrN2O — CID 3531663

IUPACN',N'-dibenzyl-2-bromobenzohydrazide
SMILESO=C(NN(Cc1ccccc1)Cc1ccccc1)c1ccccc1Br
InChIInChI=1S/C21H19BrN2O/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)
InChIKeyYVCCOTWNFFVOCE-UHFFFAOYSA-N
MW395.30 g/mol
LogP4.80
Rot. Bonds6

About N',N'-dibenzyl-2-bromobenzohydrazide

N',N'-dibenzyl-2-bromobenzohydrazide (PubChem CID 3531663) has the molecular formula C21H19BrN2O and a molecular weight of 395.30 g/mol. Its IUPAC name is N',N'-dibenzyl-2-bromobenzohydrazide.

Molecular Properties

Compound NameN',N'-dibenzyl-2-bromobenzohydrazide
PubChem CID3531663
Molecular FormulaC21H19BrN2O
Molecular Weight395.30 g/mol
Exact Mass394.07
IUPAC NameN',N'-dibenzyl-2-bromobenzohydrazide
SMILESO=C(NN(Cc1ccccc1)Cc1ccccc1)c1ccccc1Br
InChIInChI=1S/C21H19BrN2O/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)
InChIKeyYVCCOTWNFFVOCE-UHFFFAOYSA-N
XLogP4.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 54.80
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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Related Compounds

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CID 9293807
N-benzyl-2-bromo-N-(2,2-dimethylpropanoyl)benzamide
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2-bromo-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
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2-bromo-N-(1-phenylpropan-2-ylideneamino)benzamide
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Frequently Asked Questions

What is the IUPAC name of N',N'-dibenzyl-2-bromobenzohydrazide?
The IUPAC name of N',N'-dibenzyl-2-bromobenzohydrazide (CID 3531663) is N',N'-dibenzyl-2-bromobenzohydrazide.
What is the SMILES notation for N',N'-dibenzyl-2-bromobenzohydrazide?
The canonical SMILES for N',N'-dibenzyl-2-bromobenzohydrazide is O=C(NN(Cc1ccccc1)Cc1ccccc1)c1ccccc1Br.
What is the InChIKey of N',N'-dibenzyl-2-bromobenzohydrazide?
The InChIKey is YVCCOTWNFFVOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O/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-bromobenzohydrazide?
N',N'-dibenzyl-2-bromobenzohydrazide has a molecular weight of 395.30 g/mol, XLogP of 4.80, 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-bromobenzohydrazide is sourced from PubChem (CID 3531663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).