3-bromo-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide

C18H19BrN2O4 — CID 4501311

IUPAC3-bromo-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1Br
InChIInChI=1S/C18H19BrN2O4/c1-11-6-12(2)8-14(7-11)25-10-17(22)20-21-18(23)13-4-5-16(24-3)15(19)9-13/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyKMYLRTOMXQCITJ-UHFFFAOYSA-N
MW407.26 g/mol
LogP2.91
Rot. Bonds5

About 3-bromo-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide

3-bromo-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide (PubChem CID 4501311) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is 3-bromo-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide
PubChem CID4501311
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC Name3-bromo-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1Br
InChIInChI=1S/C18H19BrN2O4/c1-11-6-12(2)8-14(7-11)25-10-17(22)20-21-18(23)13-4-5-16(24-3)15(19)9-13/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyKMYLRTOMXQCITJ-UHFFFAOYSA-N
XLogP2.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-bromo-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide 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

3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 3368075
3-bromo-4-methoxy-N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 4501966
1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide
CID 5241473
3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide
CID 4948726
N'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide
CID 30483036
N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide
CID 3477652
3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856
N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(methoxymethyl)benzohydrazide
CID 26259356
4-butoxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide
CID 4936299
3,5-dichloro-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide
CID 9322281
N'-[2-(4-bromophenoxy)acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655569
4-[2-(3-bromo-4-methoxybenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5118738

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide?
The IUPAC name of 3-bromo-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide (CID 4501311) is 3-bromo-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide.
What is the SMILES notation for 3-bromo-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide?
The canonical SMILES for 3-bromo-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1Br.
What is the InChIKey of 3-bromo-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide?
The InChIKey is KMYLRTOMXQCITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-11-6-12(2)8-14(7-11)25-10-17(22)20-21-18(23)13-4-5-16(24-3)15(19)9-13/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 3-bromo-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide?
3-bromo-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide has a molecular weight of 407.26 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide is sourced from PubChem (CID 4501311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).