N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide

C26H27BrN2O4 — CID 17051880

IUPACN'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C26H27BrN2O4/c1-26(2,3)21-15-19(27)13-14-23(21)33-17-24(30)28-29-25(31)20-11-7-8-12-22(20)32-16-18-9-5-4-6-10-18/h4-15H,16-17H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyBIDKBQWNTSRCIC-UHFFFAOYSA-N
MW511.42 g/mol
LogP5.17
Rot. Bonds7

About N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide

N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide (PubChem CID 17051880) has the molecular formula C26H27BrN2O4 and a molecular weight of 511.42 g/mol. Its IUPAC name is N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide
PubChem CID17051880
Molecular FormulaC26H27BrN2O4
Molecular Weight511.42 g/mol
Exact Mass510.12
IUPAC NameN'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C26H27BrN2O4/c1-26(2,3)21-15-19(27)13-14-23(21)33-17-24(30)28-29-25(31)20-11-7-8-12-22(20)32-16-18-9-5-4-6-10-18/h4-15H,16-17H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyBIDKBQWNTSRCIC-UHFFFAOYSA-N
XLogP5.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.42
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-bromo-2-tert-butylphenoxy)methyl]benzoic acid
CID 20988596
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 17051826
N-benzhydryl-2-(4-bromo-2-tert-butylphenoxy)acetamide
CID 19171974
N'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide
CID 4938113
2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide
CID 4941221
ethyl 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 19171971
N'-[2-(3,4-dimethylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide
CID 4938115
N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide
CID 17356745
2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide
CID 17051867
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]hexanehydrazide
CID 17051882
2-(4-bromo-2-tert-butylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 17051639
N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-(2-phenylethoxy)benzohydrazide
CID 19628301

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide?
The IUPAC name of N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide (CID 17051880) is N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide is CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide?
The InChIKey is BIDKBQWNTSRCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrN2O4/c1-26(2,3)21-15-19(27)13-14-23(21)33-17-24(30)28-29-25(31)20-11-7-8-12-22(20)32-16-18-9-5-4-6-10-18/h4-15H,16-17H2,1-3H3,(H,28,30)(H,29,31).
What are the key properties of N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide?
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide has a molecular weight of 511.42 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide is sourced from PubChem (CID 17051880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).