3-bromo-N'-[2-(4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide

C21H25BrN2O4 — CID 17351905

IUPAC3-bromo-N'-[2-(4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1
InChIInChI=1S/C21H25BrN2O4/c1-4-15-5-8-17(9-6-15)27-13-20(25)23-24-21(26)16-7-10-19(18(22)11-16)28-12-14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyJOUZCEPGHYPGDZ-UHFFFAOYSA-N
MW449.35 g/mol
LogP3.89
Rot. Bonds8

About 3-bromo-N'-[2-(4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide

3-bromo-N'-[2-(4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide (PubChem CID 17351905) has the molecular formula C21H25BrN2O4 and a molecular weight of 449.35 g/mol. Its IUPAC name is 3-bromo-N'-[2-(4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-[2-(4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
PubChem CID17351905
Molecular FormulaC21H25BrN2O4
Molecular Weight449.35 g/mol
Exact Mass448.10
IUPAC Name3-bromo-N'-[2-(4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1
InChIInChI=1S/C21H25BrN2O4/c1-4-15-5-8-17(9-6-15)27-13-20(25)23-24-21(26)16-7-10-19(18(22)11-16)28-12-14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyJOUZCEPGHYPGDZ-UHFFFAOYSA-N
XLogP3.89
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.35
LogP ≤ 53.89
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

N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 4930169
3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351923
3-bromo-N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17352502
3-bromo-N'-[4-(2-methylpropoxy)benzoyl]-4-propoxybenzohydrazide
CID 17342923
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide
CID 17141437
3-bromo-N'-[2-(2,3-dimethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351938
3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351871
3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide
CID 17351708
3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 3368075
3-bromo-N-methyl-4-(2-methylpropoxy)benzamide
CID 17351710
3-bromo-N-[[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17352455
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide
CID 4629070

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-[2-(4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide?
The IUPAC name of 3-bromo-N'-[2-(4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide (CID 17351905) is 3-bromo-N'-[2-(4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide.
What is the SMILES notation for 3-bromo-N'-[2-(4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide?
The canonical SMILES for 3-bromo-N'-[2-(4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide is CCc1ccc(OCC(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1.
What is the InChIKey of 3-bromo-N'-[2-(4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide?
The InChIKey is JOUZCEPGHYPGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O4/c1-4-15-5-8-17(9-6-15)27-13-20(25)23-24-21(26)16-7-10-19(18(22)11-16)28-12-14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 3-bromo-N'-[2-(4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide?
3-bromo-N'-[2-(4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide has a molecular weight of 449.35 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-[2-(4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide is sourced from PubChem (CID 17351905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).