N'-benzoyl-2-bromo-N-tert-butylbenzohydrazide

C18H19BrN2O2 — CID 14626566

IUPACN'-benzoyl-2-bromo-N-tert-butylbenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1Br
InChIInChI=1S/C18H19BrN2O2/c1-18(2,3)21(17(23)14-11-7-8-12-15(14)19)20-16(22)13-9-5-4-6-10-13/h4-12H,1-3H3,(H,20,22)
InChIKeyVWUXTQITZZGXTQ-UHFFFAOYSA-N
MW375.27 g/mol
LogP4.03
Rot. Bonds2

About N'-benzoyl-2-bromo-N-tert-butylbenzohydrazide

N'-benzoyl-2-bromo-N-tert-butylbenzohydrazide (PubChem CID 14626566) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N'-benzoyl-2-bromo-N-tert-butylbenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-2-bromo-N-tert-butylbenzohydrazide
PubChem CID14626566
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC NameN'-benzoyl-2-bromo-N-tert-butylbenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1Br
InChIInChI=1S/C18H19BrN2O2/c1-18(2,3)21(17(23)14-11-7-8-12-15(14)19)20-16(22)13-9-5-4-6-10-13/h4-12H,1-3H3,(H,20,22)
InChIKeyVWUXTQITZZGXTQ-UHFFFAOYSA-N
XLogP4.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.03
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'-benzoyl-2-bromo-N-tert-butylbenzohydrazide?
The IUPAC name of N'-benzoyl-2-bromo-N-tert-butylbenzohydrazide (CID 14626566) is N'-benzoyl-2-bromo-N-tert-butylbenzohydrazide.
What is the SMILES notation for N'-benzoyl-2-bromo-N-tert-butylbenzohydrazide?
The canonical SMILES for N'-benzoyl-2-bromo-N-tert-butylbenzohydrazide is CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1Br.
What is the InChIKey of N'-benzoyl-2-bromo-N-tert-butylbenzohydrazide?
The InChIKey is VWUXTQITZZGXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-18(2,3)21(17(23)14-11-7-8-12-15(14)19)20-16(22)13-9-5-4-6-10-13/h4-12H,1-3H3,(H,20,22).
What are the key properties of N'-benzoyl-2-bromo-N-tert-butylbenzohydrazide?
N'-benzoyl-2-bromo-N-tert-butylbenzohydrazide has a molecular weight of 375.27 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-2-bromo-N-tert-butylbenzohydrazide is sourced from PubChem (CID 14626566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).