N'-[2-(4-bromo-2-chlorophenoxy)acetyl]tetradecanehydrazide

C22H34BrClN2O3 — CID 54792058

IUPACN'-[2-(4-bromo-2-chlorophenoxy)acetyl]tetradecanehydrazide
SMILESCCCCCCCCCCCCCC(=O)NNC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C22H34BrClN2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(27)25-26-22(28)17-29-20-15-14-18(23)16-19(20)24/h14-16H,2-13,17H2,1H3,(H,25,27)(H,26,28)
InChIKeyOLMUMWFZWLPWGG-UHFFFAOYSA-N
MW489.88 g/mol
LogP6.33
Rot. Bonds15

About N'-[2-(4-bromo-2-chlorophenoxy)acetyl]tetradecanehydrazide

N'-[2-(4-bromo-2-chlorophenoxy)acetyl]tetradecanehydrazide (PubChem CID 54792058) has the molecular formula C22H34BrClN2O3 and a molecular weight of 489.88 g/mol. Its IUPAC name is N'-[2-(4-bromo-2-chlorophenoxy)acetyl]tetradecanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2-chlorophenoxy)acetyl]tetradecanehydrazide
PubChem CID54792058
Molecular FormulaC22H34BrClN2O3
Molecular Weight489.88 g/mol
Exact Mass488.14
IUPAC NameN'-[2-(4-bromo-2-chlorophenoxy)acetyl]tetradecanehydrazide
SMILESCCCCCCCCCCCCCC(=O)NNC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C22H34BrClN2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(27)25-26-22(28)17-29-20-15-14-18(23)16-19(20)24/h14-16H,2-13,17H2,1H3,(H,25,27)(H,26,28)
InChIKeyOLMUMWFZWLPWGG-UHFFFAOYSA-N
XLogP6.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.88
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-[2-(4-bromo-2-chlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoic acid
CID 4632414
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]hexanehydrazide
CID 17051882
1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
CID 4513160
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105
2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4633037
4-[2-[2-(4-bromo-2-chlorophenoxy)acetyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 3650888
2-(4-bromo-2-chlorophenoxy)-N-[(E)-pentan-2-ylideneamino]acetamide
CID 54785679
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide
CID 5210911
2-(4-bromo-2-chlorophenoxy)-N-tert-butylacetamide
CID 885602
3-bromo-N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-hexoxybenzohydrazide
CID 4959624
ethyl 4-[2-[2-[2-(4-bromo-2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932707

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]tetradecanehydrazide?
The IUPAC name of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]tetradecanehydrazide (CID 54792058) is N'-[2-(4-bromo-2-chlorophenoxy)acetyl]tetradecanehydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2-chlorophenoxy)acetyl]tetradecanehydrazide?
The canonical SMILES for N'-[2-(4-bromo-2-chlorophenoxy)acetyl]tetradecanehydrazide is CCCCCCCCCCCCCC(=O)NNC(=O)COc1ccc(Br)cc1Cl.
What is the InChIKey of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]tetradecanehydrazide?
The InChIKey is OLMUMWFZWLPWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34BrClN2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(27)25-26-22(28)17-29-20-15-14-18(23)16-19(20)24/h14-16H,2-13,17H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]tetradecanehydrazide?
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]tetradecanehydrazide has a molecular weight of 489.88 g/mol, XLogP of 6.33, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-2-chlorophenoxy)acetyl]tetradecanehydrazide is sourced from PubChem (CID 54792058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).