N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-hexoxybenzohydrazide

C23H29BrN2O4 — CID 4942366

IUPACN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-hexoxybenzohydrazide
SMILESCCCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(CC)cc1Br
InChIInChI=1S/C23H29BrN2O4/c1-3-5-6-9-14-29-20-11-8-7-10-18(20)23(28)26-25-22(27)16-30-21-13-12-17(4-2)15-19(21)24/h7-8,10-13,15H,3-6,9,14,16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyHFABYVJZALRGGV-UHFFFAOYSA-N
MW477.40 g/mol
LogP4.81
Rot. Bonds11

About N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-hexoxybenzohydrazide

N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-hexoxybenzohydrazide (PubChem CID 4942366) has the molecular formula C23H29BrN2O4 and a molecular weight of 477.40 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-hexoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-hexoxybenzohydrazide
PubChem CID4942366
Molecular FormulaC23H29BrN2O4
Molecular Weight477.40 g/mol
Exact Mass476.13
IUPAC NameN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-hexoxybenzohydrazide
SMILESCCCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(CC)cc1Br
InChIInChI=1S/C23H29BrN2O4/c1-3-5-6-9-14-29-20-11-8-7-10-18(20)23(28)26-25-22(27)16-30-21-13-12-17(4-2)15-19(21)24/h7-8,10-13,15H,3-6,9,14,16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyHFABYVJZALRGGV-UHFFFAOYSA-N
XLogP4.81
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.40
LogP ≤ 54.81
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

2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide
CID 4941221
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide
CID 4629077
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17045696
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-2-butoxybenzohydrazide
CID 4941268
2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 4941258
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-pentoxybenzohydrazide
CID 4946860
N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 17189754
2-pentoxy-N'-(2-phenylacetyl)benzohydrazide
CID 4946811
2-hexoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 4942278
2-hexoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 4942269
N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide
CID 4946756
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide
CID 4629070

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-hexoxybenzohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-hexoxybenzohydrazide (CID 4942366) is N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-hexoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-hexoxybenzohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-hexoxybenzohydrazide is CCCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(CC)cc1Br.
What is the InChIKey of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-hexoxybenzohydrazide?
The InChIKey is HFABYVJZALRGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O4/c1-3-5-6-9-14-29-20-11-8-7-10-18(20)23(28)26-25-22(27)16-30-21-13-12-17(4-2)15-19(21)24/h7-8,10-13,15H,3-6,9,14,16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-hexoxybenzohydrazide?
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-hexoxybenzohydrazide has a molecular weight of 477.40 g/mol, XLogP of 4.81, 11 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-ethylphenoxy)acetyl]-2-hexoxybenzohydrazide is sourced from PubChem (CID 4942366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).