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

C18H19BrN2O3 — CID 54790816

IUPAC3-bromo-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
SMILESCC(C)c1ccc(OCC(=O)NNC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C18H19BrN2O3/c1-12(2)13-6-8-16(9-7-13)24-11-17(22)20-21-18(23)14-4-3-5-15(19)10-14/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGIMMEKSXMPXURJ-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.41
Rot. Bonds5

About 3-bromo-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide

3-bromo-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide (PubChem CID 54790816) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 3-bromo-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
PubChem CID54790816
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name3-bromo-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
SMILESCC(C)c1ccc(OCC(=O)NNC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C18H19BrN2O3/c1-12(2)13-6-8-16(9-7-13)24-11-17(22)20-21-18(23)14-4-3-5-15(19)10-14/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGIMMEKSXMPXURJ-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

3-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 54790918
N'-[2-(4-propan-2-ylphenoxy)acetyl]-3-propoxybenzohydrazide
CID 4960138
3-butoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4956704
3-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100329
3-bromo-4-tert-butyl-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4502918
3-bromo-N-[2-oxo-2-[2-(4-propan-2-ylphenoxy)ethylamino]ethyl]benzamide
CID 60515632
N'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140443
4-(2-phenoxyethoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4952843
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-3-ethoxybenzohydrazide
CID 4957576
3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 7719967
3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide
CID 54790769
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502708

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 3-bromo-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide (CID 54790816) is 3-bromo-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 3-bromo-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 3-bromo-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide is CC(C)c1ccc(OCC(=O)NNC(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of 3-bromo-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide?
The InChIKey is GIMMEKSXMPXURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-12(2)13-6-8-16(9-7-13)24-11-17(22)20-21-18(23)14-4-3-5-15(19)10-14/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-bromo-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide?
3-bromo-N'-[2-(4-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 3-bromo-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 54790816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).