2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide

C20H23BrN2O4 — CID 4504195

IUPAC2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)COc2c(C)cccc2C)c(Br)c1
InChIInChI=1S/C20H23BrN2O4/c1-4-15-8-9-17(16(21)10-15)26-11-18(24)22-23-19(25)12-27-20-13(2)6-5-7-14(20)3/h5-10H,4,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyPKCBUSIPVXGRNU-UHFFFAOYSA-N
MW435.32 g/mol
LogP3.23
Rot. Bonds7

About 2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide

2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide (PubChem CID 4504195) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide
PubChem CID4504195
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)COc2c(C)cccc2C)c(Br)c1
InChIInChI=1S/C20H23BrN2O4/c1-4-15-8-9-17(16(21)10-15)26-11-18(24)22-23-19(25)12-27-20-13(2)6-5-7-14(20)3/h5-10H,4,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyPKCBUSIPVXGRNU-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
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-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 3343767
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide
CID 4629735
2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 965908
methyl 3-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamoyl]benzoate
CID 17175455
2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 988892
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide
CID 17169378
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide
CID 4629077
1-N',4-N'-bis[2-(2-bromo-4-ethylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide
CID 4927256
2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide
CID 19202087
2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide
CID 833491
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,6-dimethylphenoxy)propanehydrazide
CID 4958704
2-(2-bromo-4-ethylphenoxy)-N-[[[2-(4-bromo-2-methylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 3259623

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide (CID 4504195) is 2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide is CCc1ccc(OCC(=O)NNC(=O)COc2c(C)cccc2C)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide?
The InChIKey is PKCBUSIPVXGRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-4-15-8-9-17(16(21)10-15)26-11-18(24)22-23-19(25)12-27-20-13(2)6-5-7-14(20)3/h5-10H,4,11-12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide?
2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide has a molecular weight of 435.32 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 4504195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).