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

C20H22Br2N2O4 — CID 17051749

IUPAC5-bromo-N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)c(Br)c1
InChIInChI=1S/C20H22Br2N2O4/c1-4-13-5-7-18(16(22)9-13)27-11-19(25)23-24-20(26)15-10-14(21)6-8-17(15)28-12(2)3/h5-10,12H,4,11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyYIAAPDUQCDXKHJ-UHFFFAOYSA-N
MW514.21 g/mol
LogP4.40
Rot. Bonds7

About 5-bromo-N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide

5-bromo-N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide (PubChem CID 17051749) has the molecular formula C20H22Br2N2O4 and a molecular weight of 514.21 g/mol. Its IUPAC name is 5-bromo-N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound Name5-bromo-N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
PubChem CID17051749
Molecular FormulaC20H22Br2N2O4
Molecular Weight514.21 g/mol
Exact Mass511.99
IUPAC Name5-bromo-N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)c(Br)c1
InChIInChI=1S/C20H22Br2N2O4/c1-4-13-5-7-18(16(22)9-13)27-11-19(25)23-24-20(26)15-10-14(21)6-8-17(15)28-12(2)3/h5-10,12H,4,11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyYIAAPDUQCDXKHJ-UHFFFAOYSA-N
XLogP4.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.21
LogP ≤ 54.40
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]-2-propan-2-yloxybenzohydrazide
CID 17045696
5-bromo-N'-(2-ethoxyacetyl)-2-propan-2-yloxybenzohydrazide
CID 17140952
(2-bromo-4-ethylphenyl) 5-bromo-2-propan-2-yloxybenzoate
CID 23013240
5-bromo-2-propan-2-yloxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17051675
5-bromo-N'-[2-(2,4-dibromophenoxy)acetyl]-2-ethoxybenzohydrazide
CID 17353057
5-bromo-N'-[2-(4-methylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051707
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide
CID 4629077
5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051761
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17045697
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide
CID 17141437
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 4930169
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide
CID 4629070

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide?
The IUPAC name of 5-bromo-N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide (CID 17051749) is 5-bromo-N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide.
What is the SMILES notation for 5-bromo-N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide?
The canonical SMILES for 5-bromo-N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide is CCc1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)c(Br)c1.
What is the InChIKey of 5-bromo-N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide?
The InChIKey is YIAAPDUQCDXKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Br2N2O4/c1-4-13-5-7-18(16(22)9-13)27-11-19(25)23-24-20(26)15-10-14(21)6-8-17(15)28-12(2)3/h5-10,12H,4,11H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 5-bromo-N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide?
5-bromo-N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide has a molecular weight of 514.21 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 17051749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).