5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide

C20H23BrN2O4 — CID 17350231

IUPAC5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
SMILESCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C)cc1
InChIInChI=1S/C20H23BrN2O4/c1-3-4-11-26-18-10-7-15(21)12-17(18)20(25)23-22-19(24)13-27-16-8-5-14(2)6-9-16/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyKJDOIQJUJPRQCE-UHFFFAOYSA-N
MW435.32 g/mol
LogP3.78
Rot. Bonds8

About 5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide

5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide (PubChem CID 17350231) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is 5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
PubChem CID17350231
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC Name5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
SMILESCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C)cc1
InChIInChI=1S/C20H23BrN2O4/c1-3-4-11-26-18-10-7-15(21)12-17(18)20(25)23-22-19(24)13-27-16-8-5-14(2)6-9-16/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyKJDOIQJUJPRQCE-UHFFFAOYSA-N
XLogP3.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 53.78
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

5-bromo-N'-[2-(4-methylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051707
5-bromo-2-(2-methoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17357334
5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 17350254
2-hexoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 4942278
5-bromo-2-(3-methylbutoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
CID 17350916
N'-[2-(4-methylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 4931603
2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide
CID 4941221
5-bromo-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-ethoxybenzohydrazide
CID 17353060
5-bromo-2-(3-methylbutoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17350845
5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 17350208
5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide
CID 17350206
5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide
CID 17046364

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide (CID 17350231) is 5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide is CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C)cc1.
What is the InChIKey of 5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide?
The InChIKey is KJDOIQJUJPRQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-3-4-11-26-18-10-7-15(21)12-17(18)20(25)23-22-19(24)13-27-16-8-5-14(2)6-9-16/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide?
5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide has a molecular weight of 435.32 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 17350231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).