3-bromo-N'-(2-ethoxyacetyl)-4-hexoxybenzohydrazide

C17H25BrN2O4 — CID 17140929

IUPAC3-bromo-N'-(2-ethoxyacetyl)-4-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)COCC)cc1Br
InChIInChI=1S/C17H25BrN2O4/c1-3-5-6-7-10-24-15-9-8-13(11-14(15)18)17(22)20-19-16(21)12-23-4-2/h8-9,11H,3-7,10,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyJHSNJRXGOUKWMO-UHFFFAOYSA-N
MW401.30 g/mol
LogP3.21
Rot. Bonds10

About 3-bromo-N'-(2-ethoxyacetyl)-4-hexoxybenzohydrazide

3-bromo-N'-(2-ethoxyacetyl)-4-hexoxybenzohydrazide (PubChem CID 17140929) has the molecular formula C17H25BrN2O4 and a molecular weight of 401.30 g/mol. Its IUPAC name is 3-bromo-N'-(2-ethoxyacetyl)-4-hexoxybenzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-(2-ethoxyacetyl)-4-hexoxybenzohydrazide
PubChem CID17140929
Molecular FormulaC17H25BrN2O4
Molecular Weight401.30 g/mol
Exact Mass400.10
IUPAC Name3-bromo-N'-(2-ethoxyacetyl)-4-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)COCC)cc1Br
InChIInChI=1S/C17H25BrN2O4/c1-3-5-6-7-10-24-15-9-8-13(11-14(15)18)17(22)20-19-16(21)12-23-4-2/h8-9,11H,3-7,10,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyJHSNJRXGOUKWMO-UHFFFAOYSA-N
XLogP3.21
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 53.21
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

3-bromo-4-hexoxy-N'-(2-phenylacetyl)benzohydrazide
CID 4959610
3-bromo-N'-[2-(4-chlorophenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4959603
3-bromo-N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-hexoxybenzohydrazide
CID 4959624
3-bromo-N'-(3-ethoxypropanoyl)-4-(2-methoxyethoxy)benzohydrazide
CID 17357979
3-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-hexoxybenzohydrazide
CID 4959647
methyl N-[(3-bromo-4-butoxybenzoyl)amino]carbamate
CID 4955902
3-bromo-4-hexoxy-N-[[(4-methylbenzoyl)amino]carbamothioyl]benzamide
CID 4959904
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-4-pentoxybenzohydrazide
CID 4935351
3-bromo-4-butoxy-N'-(2-chlorobenzoyl)benzohydrazide
CID 4955884
3-bromo-N-(4-heptoxyphenyl)-4-hexoxybenzamide
CID 4959571
3-bromo-4-hexoxy-N-(methylcarbamothioyl)benzamide
CID 4959869
3-bromo-N-(2,6-dimethylphenyl)-4-hexoxybenzamide
CID 4959519

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-(2-ethoxyacetyl)-4-hexoxybenzohydrazide?
The IUPAC name of 3-bromo-N'-(2-ethoxyacetyl)-4-hexoxybenzohydrazide (CID 17140929) is 3-bromo-N'-(2-ethoxyacetyl)-4-hexoxybenzohydrazide.
What is the SMILES notation for 3-bromo-N'-(2-ethoxyacetyl)-4-hexoxybenzohydrazide?
The canonical SMILES for 3-bromo-N'-(2-ethoxyacetyl)-4-hexoxybenzohydrazide is CCCCCCOc1ccc(C(=O)NNC(=O)COCC)cc1Br.
What is the InChIKey of 3-bromo-N'-(2-ethoxyacetyl)-4-hexoxybenzohydrazide?
The InChIKey is JHSNJRXGOUKWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O4/c1-3-5-6-7-10-24-15-9-8-13(11-14(15)18)17(22)20-19-16(21)12-23-4-2/h8-9,11H,3-7,10,12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 3-bromo-N'-(2-ethoxyacetyl)-4-hexoxybenzohydrazide?
3-bromo-N'-(2-ethoxyacetyl)-4-hexoxybenzohydrazide has a molecular weight of 401.30 g/mol, XLogP of 3.21, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-(2-ethoxyacetyl)-4-hexoxybenzohydrazide is sourced from PubChem (CID 17140929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).