N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-2-propoxybenzohydrazide

C22H27BrN2O4 — CID 17189754

IUPACN'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-2-propoxybenzohydrazide
SMILESCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(C(C)CC)cc1Br
InChIInChI=1S/C22H27BrN2O4/c1-4-12-28-19-9-7-6-8-17(19)22(27)25-24-21(26)14-29-20-11-10-16(13-18(20)23)15(3)5-2/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyAYLLEBGVUFJHJQ-UHFFFAOYSA-N
MW463.37 g/mol
LogP4.59
Rot. Bonds9

About N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-2-propoxybenzohydrazide

N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-2-propoxybenzohydrazide (PubChem CID 17189754) has the molecular formula C22H27BrN2O4 and a molecular weight of 463.37 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-2-propoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-2-propoxybenzohydrazide
PubChem CID17189754
Molecular FormulaC22H27BrN2O4
Molecular Weight463.37 g/mol
Exact Mass462.12
IUPAC NameN'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-2-propoxybenzohydrazide
SMILESCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(C(C)CC)cc1Br
InChIInChI=1S/C22H27BrN2O4/c1-4-12-28-19-9-7-6-8-17(19)22(27)25-24-21(26)14-29-20-11-10-16(13-18(20)23)15(3)5-2/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyAYLLEBGVUFJHJQ-UHFFFAOYSA-N
XLogP4.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.37
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-2-propoxybenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-2-butoxybenzohydrazide
CID 4941268
N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]benzohydrazide
CID 17189717
2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide
CID 4941221
N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide
CID 17189667
2-(2-bromo-4-butan-2-ylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide
CID 17189744
2-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide
CID 17189631
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-hexoxybenzohydrazide
CID 4942366
2-(2-bromo-4-butan-2-ylphenoxy)-N-[2-(2-ethoxyethoxy)phenyl]acetamide
CID 17189623
propyl 4-[2-[2-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 17189749
2-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 17189556
2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide
CID 17189524
N-[4-[[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]carbamoyl]phenyl]butanamide
CID 17189704

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-2-propoxybenzohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-2-propoxybenzohydrazide (CID 17189754) is N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-2-propoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-2-propoxybenzohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-2-propoxybenzohydrazide is CCCOc1ccccc1C(=O)NNC(=O)COc1ccc(C(C)CC)cc1Br.
What is the InChIKey of N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-2-propoxybenzohydrazide?
The InChIKey is AYLLEBGVUFJHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O4/c1-4-12-28-19-9-7-6-8-17(19)22(27)25-24-21(26)14-29-20-11-10-16(13-18(20)23)15(3)5-2/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-2-propoxybenzohydrazide?
N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-2-propoxybenzohydrazide has a molecular weight of 463.37 g/mol, XLogP of 4.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-2-propoxybenzohydrazide is sourced from PubChem (CID 17189754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).