N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-3-ethoxybenzohydrazide

C20H23BrN2O4 — CID 4957576

IUPACN'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-3-ethoxybenzohydrazide
SMILESCCOc1cccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)c1
InChIInChI=1S/C20H23BrN2O4/c1-4-26-16-7-5-6-15(10-16)20(25)23-22-19(24)12-27-18-9-8-14(13(2)3)11-17(18)21/h5-11,13H,4,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyQJRMJYIBADIQGV-UHFFFAOYSA-N
MW435.32 g/mol
LogP3.81
Rot. Bonds7

About N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-3-ethoxybenzohydrazide

N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-3-ethoxybenzohydrazide (PubChem CID 4957576) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-3-ethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-3-ethoxybenzohydrazide
PubChem CID4957576
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC NameN'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-3-ethoxybenzohydrazide
SMILESCCOc1cccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)c1
InChIInChI=1S/C20H23BrN2O4/c1-4-26-16-7-5-6-15(10-16)20(25)23-22-19(24)12-27-18-9-8-14(13(2)3)11-17(18)21/h5-11,13H,4,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyQJRMJYIBADIQGV-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
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-propan-2-ylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 3329644
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-3-propan-2-yloxybenzohydrazide
CID 17142569
N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]benzohydrazide
CID 17189717
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-(2-ethoxyethoxy)benzohydrazide
CID 17139777
3-bromo-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 54790816
N'-[2-(4-propan-2-ylphenoxy)acetyl]-3-propoxybenzohydrazide
CID 4960138
3-butoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4956704
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-ethoxybenzohydrazide
CID 4957534
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-2-butoxybenzohydrazide
CID 4941268
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134530
methyl 3-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamoyl]benzoate
CID 17175455
3-butoxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4956700

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-3-ethoxybenzohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-3-ethoxybenzohydrazide (CID 4957576) is N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-3-ethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-3-ethoxybenzohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-3-ethoxybenzohydrazide is CCOc1cccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)c1.
What is the InChIKey of N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-3-ethoxybenzohydrazide?
The InChIKey is QJRMJYIBADIQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-4-26-16-7-5-6-15(10-16)20(25)23-22-19(24)12-27-18-9-8-14(13(2)3)11-17(18)21/h5-11,13H,4,12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-3-ethoxybenzohydrazide?
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-3-ethoxybenzohydrazide has a molecular weight of 435.32 g/mol, XLogP of 3.81, 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-propan-2-ylphenoxy)acetyl]-3-ethoxybenzohydrazide is sourced from PubChem (CID 4957576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).