3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide

C17H17BrN2O4 — CID 3368075

IUPAC3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2)cc1Br
InChIInChI=1S/C17H17BrN2O4/c1-11-3-6-13(7-4-11)24-10-16(21)19-20-17(22)12-5-8-15(23-2)14(18)9-12/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDOYDPCVFOXQEHV-UHFFFAOYSA-N
MW393.24 g/mol
LogP2.61
Rot. Bonds5

About 3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide

3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide (PubChem CID 3368075) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
PubChem CID3368075
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC Name3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2)cc1Br
InChIInChI=1S/C17H17BrN2O4/c1-11-3-6-13(7-4-11)24-10-16(21)19-20-17(22)12-5-8-15(23-2)14(18)9-12/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDOYDPCVFOXQEHV-UHFFFAOYSA-N
XLogP2.61
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 52.61
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

3-bromo-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide
CID 4501311
3-bromo-4-methoxy-N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 4501966
3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide
CID 4948726
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-methoxyphenoxy)acetohydrazide
CID 4634264
1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide
CID 5241473
N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide
CID 3477652
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
3-bromo-4-(2-methoxyethoxy)-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 17356663
3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 17073866
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-4-pentoxybenzohydrazide
CID 4935351
3-methoxy-N'-[2-(4-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide
CID 25163897

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide (CID 3368075) is 3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide is COc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide?
The InChIKey is DOYDPCVFOXQEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c1-11-3-6-13(7-4-11)24-10-16(21)19-20-17(22)12-5-8-15(23-2)14(18)9-12/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide?
3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide has a molecular weight of 393.24 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 3368075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).