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

C20H23BrN2O4 — CID 4502708

IUPACN'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
SMILESCc1cc(OCC(=O)NNC(=O)COc2ccc(C(C)C)cc2)ccc1Br
InChIInChI=1S/C20H23BrN2O4/c1-13(2)15-4-6-16(7-5-15)26-11-19(24)22-23-20(25)12-27-17-8-9-18(21)14(3)10-17/h4-10,13H,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyBUFCYFUFXJFWKB-UHFFFAOYSA-N
MW435.32 g/mol
LogP3.49
Rot. Bonds7

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

N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide (PubChem CID 4502708) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
PubChem CID4502708
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC NameN'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
SMILESCc1cc(OCC(=O)NNC(=O)COc2ccc(C(C)C)cc2)ccc1Br
InChIInChI=1S/C20H23BrN2O4/c1-13(2)15-4-6-16(7-5-15)26-11-19(24)22-23-20(25)12-27-17-8-9-18(21)14(3)10-17/h4-10,13H,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyBUFCYFUFXJFWKB-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
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-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953866
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-ethylphenoxy)acetohydrazide
CID 3376998
2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 99951022
2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide
CID 2949556
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 2210337
N-[[[2-(4-bromo-3-methylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4922762
tert-butyl N-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]carbamate
CID 17385948
N-(3-bromo-4-hydroxy-5-methylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 91674560
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide
CID 17141421
3-bromo-4-tert-butyl-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4502918
(2S)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 2268092
1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide
CID 4506492

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide?
The IUPAC name of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide (CID 4502708) is N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide?
The canonical SMILES for N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide is Cc1cc(OCC(=O)NNC(=O)COc2ccc(C(C)C)cc2)ccc1Br.
What is the InChIKey of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide?
The InChIKey is BUFCYFUFXJFWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-13(2)15-4-6-16(7-5-15)26-11-19(24)22-23-20(25)12-27-17-8-9-18(21)14(3)10-17/h4-10,13H,11-12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide?
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide has a molecular weight of 435.32 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide is sourced from PubChem (CID 4502708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).