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

C20H23BrN2O4 — CID 17045696

IUPACN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2ccccc2OC(C)C)c(Br)c1
InChIInChI=1S/C20H23BrN2O4/c1-4-14-9-10-18(16(21)11-14)26-12-19(24)22-23-20(25)15-7-5-6-8-17(15)27-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyLVNGLQQVEWWWDH-UHFFFAOYSA-N
MW435.32 g/mol
LogP3.64
Rot. Bonds7

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

N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide (PubChem CID 17045696) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
PubChem CID17045696
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC NameN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2ccccc2OC(C)C)c(Br)c1
InChIInChI=1S/C20H23BrN2O4/c1-4-14-9-10-18(16(21)11-14)26-12-19(24)22-23-20(25)15-7-5-6-8-17(15)27-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyLVNGLQQVEWWWDH-UHFFFAOYSA-N
XLogP3.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 53.64
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-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051749
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide
CID 4629077
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-hexoxybenzohydrazide
CID 4942366
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17045697
N-[[[2-(2-bromo-4-methylphenoxy)acetyl]amino]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045980
N-[[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17046007
N-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17046013
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide
CID 4629070
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 4940220
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide
CID 17141437
N-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142873
5-bromo-2-propan-2-yloxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17051675

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide (CID 17045696) is N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide is CCc1ccc(OCC(=O)NNC(=O)c2ccccc2OC(C)C)c(Br)c1.
What is the InChIKey of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide?
The InChIKey is LVNGLQQVEWWWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-4-14-9-10-18(16(21)11-14)26-12-19(24)22-23-20(25)15-7-5-6-8-17(15)27-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide?
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide has a molecular weight of 435.32 g/mol, XLogP of 3.64, 7 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-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 17045696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).