N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]benzohydrazide

C18H19BrN2O3 — CID 17189087

IUPACN'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]benzohydrazide
SMILESCC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C18H19BrN2O3/c1-12(2)15-10-14(19)8-9-16(15)24-11-17(22)20-21-18(23)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeySUNJRIKTFBRBPH-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.41
Rot. Bonds5

About N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]benzohydrazide

N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]benzohydrazide (PubChem CID 17189087) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]benzohydrazide
PubChem CID17189087
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC NameN'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]benzohydrazide
SMILESCC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C18H19BrN2O3/c1-12(2)15-10-14(19)8-9-16(15)24-11-17(22)20-21-18(23)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeySUNJRIKTFBRBPH-UHFFFAOYSA-N
XLogP3.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 17189073
N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 922574
N-[4-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-2,5-diethoxyphenyl]benzamide
CID 19203094
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105
N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2,4-dichlorobenzohydrazide
CID 17189044
N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 17189052
2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17188944
5-bromo-2-propan-2-yloxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17051675
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 115401934
3-hydroxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4879587
N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 17252223
2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-fluorophenyl)acetamide
CID 17188911

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]benzohydrazide?
The IUPAC name of N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]benzohydrazide (CID 17189087) is N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]benzohydrazide is CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]benzohydrazide?
The InChIKey is SUNJRIKTFBRBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-12(2)15-10-14(19)8-9-16(15)24-11-17(22)20-21-18(23)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]benzohydrazide?
N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]benzohydrazide has a molecular weight of 391.27 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 17189087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).