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

C21H25BrN2O4 — CID 4930169

IUPACN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2ccc(OCC(C)C)cc2)c(Br)c1
InChIInChI=1S/C21H25BrN2O4/c1-4-15-5-10-19(18(22)11-15)28-13-20(25)23-24-21(26)16-6-8-17(9-7-16)27-12-14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyFIQDIDMPNCGSJT-UHFFFAOYSA-N
MW449.35 g/mol
LogP3.89
Rot. Bonds8

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

N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide (PubChem CID 4930169) has the molecular formula C21H25BrN2O4 and a molecular weight of 449.35 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
PubChem CID4930169
Molecular FormulaC21H25BrN2O4
Molecular Weight449.35 g/mol
Exact Mass448.10
IUPAC NameN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2ccc(OCC(C)C)cc2)c(Br)c1
InChIInChI=1S/C21H25BrN2O4/c1-4-15-5-10-19(18(22)11-15)28-13-20(25)23-24-21(26)16-6-8-17(9-7-16)27-12-14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyFIQDIDMPNCGSJT-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

3-bromo-N'-[2-(4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351905
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide
CID 17141437
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide
CID 4629070
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 4930160
3-bromo-N'-[4-(2-methylpropoxy)benzoyl]-4-propoxybenzohydrazide
CID 17342923
methyl 3-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamoyl]benzoate
CID 17175455
4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 26157525
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 965908
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17045696
5-bromo-N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051749
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide
CID 17169378

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide (CID 4930169) is N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide is CCc1ccc(OCC(=O)NNC(=O)c2ccc(OCC(C)C)cc2)c(Br)c1.
What is the InChIKey of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide?
The InChIKey is FIQDIDMPNCGSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O4/c1-4-15-5-10-19(18(22)11-15)28-13-20(25)23-24-21(26)16-6-8-17(9-7-16)27-12-14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide?
N'-[2-(2-bromo-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 N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide is sourced from PubChem (CID 4930169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).