5-bromo-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-ethoxybenzohydrazide

C18H18Br2N2O4 — CID 17353060

IUPAC5-bromo-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-ethoxybenzohydrazide
SMILESCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)c(C)c1
InChIInChI=1S/C18H18Br2N2O4/c1-3-25-16-7-4-12(19)9-14(16)18(24)22-21-17(23)10-26-13-5-6-15(20)11(2)8-13/h4-9H,3,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOFDZRWABPDHACS-UHFFFAOYSA-N
MW486.16 g/mol
LogP3.76
Rot. Bonds6

About 5-bromo-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-ethoxybenzohydrazide

5-bromo-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-ethoxybenzohydrazide (PubChem CID 17353060) has the molecular formula C18H18Br2N2O4 and a molecular weight of 486.16 g/mol. Its IUPAC name is 5-bromo-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-ethoxybenzohydrazide.

Molecular Properties

Compound Name5-bromo-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-ethoxybenzohydrazide
PubChem CID17353060
Molecular FormulaC18H18Br2N2O4
Molecular Weight486.16 g/mol
Exact Mass483.96
IUPAC Name5-bromo-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-ethoxybenzohydrazide
SMILESCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)c(C)c1
InChIInChI=1S/C18H18Br2N2O4/c1-3-25-16-7-4-12(19)9-14(16)18(24)22-21-17(23)10-26-13-5-6-15(20)11(2)8-13/h4-9H,3,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOFDZRWABPDHACS-UHFFFAOYSA-N
XLogP3.76
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.16
LogP ≤ 53.76
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

5-bromo-N'-[2-(2,4-dibromophenoxy)acetyl]-2-ethoxybenzohydrazide
CID 17353057
5-bromo-2-ethoxy-N'-(2-ethoxyacetyl)benzohydrazide
CID 17140940
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2-ethoxyethoxy)benzohydrazide
CID 17122878
5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 17350231
5-bromo-N'-[2-(4-methylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051707
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929141
5-bromo-N'-[2-(3,4-dimethylphenoxy)acetyl]-2-fluorobenzohydrazide
CID 26846108
5-bromo-2-(2-methoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17357334
5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide
CID 17353032
N'-[2-(4-bromo-3-methylphenoxy)acetyl]naphthalene-1-carbohydrazide
CID 5210988
5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide
CID 17353038
5-bromo-N-[[[2-(4-bromo-2-methylphenoxy)acetyl]amino]carbamothioyl]-2-ethoxybenzamide
CID 17353395

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-ethoxybenzohydrazide?
The IUPAC name of 5-bromo-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-ethoxybenzohydrazide (CID 17353060) is 5-bromo-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-ethoxybenzohydrazide.
What is the SMILES notation for 5-bromo-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-ethoxybenzohydrazide?
The canonical SMILES for 5-bromo-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-ethoxybenzohydrazide is CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)c(C)c1.
What is the InChIKey of 5-bromo-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-ethoxybenzohydrazide?
The InChIKey is OFDZRWABPDHACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br2N2O4/c1-3-25-16-7-4-12(19)9-14(16)18(24)22-21-17(23)10-26-13-5-6-15(20)11(2)8-13/h4-9H,3,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 5-bromo-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-ethoxybenzohydrazide?
5-bromo-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-ethoxybenzohydrazide has a molecular weight of 486.16 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-ethoxybenzohydrazide is sourced from PubChem (CID 17353060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).