N'-[2-(2-bromo-4-methylphenoxy)acetyl]-4-pentoxybenzohydrazide

C21H25BrN2O4 — CID 4935351

IUPACN'-[2-(2-bromo-4-methylphenoxy)acetyl]-4-pentoxybenzohydrazide
SMILESCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2Br)cc1
InChIInChI=1S/C21H25BrN2O4/c1-3-4-5-12-27-17-9-7-16(8-10-17)21(26)24-23-20(25)14-28-19-11-6-15(2)13-18(19)22/h6-11,13H,3-5,12,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyZAZDLOKJGRNXLA-UHFFFAOYSA-N
MW449.35 g/mol
LogP4.17
Rot. Bonds9

About N'-[2-(2-bromo-4-methylphenoxy)acetyl]-4-pentoxybenzohydrazide

N'-[2-(2-bromo-4-methylphenoxy)acetyl]-4-pentoxybenzohydrazide (PubChem CID 4935351) has the molecular formula C21H25BrN2O4 and a molecular weight of 449.35 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-methylphenoxy)acetyl]-4-pentoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-methylphenoxy)acetyl]-4-pentoxybenzohydrazide
PubChem CID4935351
Molecular FormulaC21H25BrN2O4
Molecular Weight449.35 g/mol
Exact Mass448.10
IUPAC NameN'-[2-(2-bromo-4-methylphenoxy)acetyl]-4-pentoxybenzohydrazide
SMILESCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2Br)cc1
InChIInChI=1S/C21H25BrN2O4/c1-3-4-5-12-27-17-9-7-16(8-10-17)21(26)24-23-20(25)14-28-19-11-6-15(2)13-18(19)22/h6-11,13H,3-5,12,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyZAZDLOKJGRNXLA-UHFFFAOYSA-N
XLogP4.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.35
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930780
3-bromo-N'-[2-(4-chlorophenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4959603
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930734
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930820
4-butoxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide
CID 4936299
4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide
CID 4936335
N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-pentoxybenzohydrazide
CID 4935386
(2-bromo-4-methylphenyl) 4-hexoxybenzoate
CID 23011402
N'-[2-(2,4-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
CID 17353575
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-methoxyphenoxy)acetohydrazide
CID 4634264

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-methylphenoxy)acetyl]-4-pentoxybenzohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-methylphenoxy)acetyl]-4-pentoxybenzohydrazide (CID 4935351) is N'-[2-(2-bromo-4-methylphenoxy)acetyl]-4-pentoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-methylphenoxy)acetyl]-4-pentoxybenzohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-methylphenoxy)acetyl]-4-pentoxybenzohydrazide is CCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2Br)cc1.
What is the InChIKey of N'-[2-(2-bromo-4-methylphenoxy)acetyl]-4-pentoxybenzohydrazide?
The InChIKey is ZAZDLOKJGRNXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O4/c1-3-4-5-12-27-17-9-7-16(8-10-17)21(26)24-23-20(25)14-28-19-11-6-15(2)13-18(19)22/h6-11,13H,3-5,12,14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(2-bromo-4-methylphenoxy)acetyl]-4-pentoxybenzohydrazide?
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-4-pentoxybenzohydrazide has a molecular weight of 449.35 g/mol, XLogP of 4.17, 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-methylphenoxy)acetyl]-4-pentoxybenzohydrazide is sourced from PubChem (CID 4935351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).