N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]tetradecanehydrazide

C23H36Br2N2O3 — CID 54792259

IUPACN'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]tetradecanehydrazide
SMILESCCCCCCCCCCCCCC(=O)NNC(=O)COc1c(C)cc(Br)cc1Br
InChIInChI=1S/C23H36Br2N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-21(28)26-27-22(29)17-30-23-18(2)15-19(24)16-20(23)25/h15-16H,3-14,17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyDXNPGZZCBFZTHO-UHFFFAOYSA-N
MW548.36 g/mol
LogP6.75
Rot. Bonds15

About N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]tetradecanehydrazide

N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]tetradecanehydrazide (PubChem CID 54792259) has the molecular formula C23H36Br2N2O3 and a molecular weight of 548.36 g/mol. Its IUPAC name is N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]tetradecanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]tetradecanehydrazide
PubChem CID54792259
Molecular FormulaC23H36Br2N2O3
Molecular Weight548.36 g/mol
Exact Mass546.11
IUPAC NameN'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]tetradecanehydrazide
SMILESCCCCCCCCCCCCCC(=O)NNC(=O)COc1c(C)cc(Br)cc1Br
InChIInChI=1S/C23H36Br2N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-21(28)26-27-22(29)17-30-23-18(2)15-19(24)16-20(23)25/h15-16H,3-14,17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyDXNPGZZCBFZTHO-UHFFFAOYSA-N
XLogP6.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.36
LogP ≤ 56.75
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

N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-pentoxybenzohydrazide
CID 4946860
1-N',4-N'-bis[2-(2,4-dibromo-6-methylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide
CID 4927218
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930820
ethyl 4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate
CID 4502844
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]pyridine-4-carbohydrazide
CID 3287161
(E)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 6121077
N-(3-butoxyphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 17095038
ethyl 4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobut-2-enoate
CID 3501549
(E)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-(4-ethoxyphenyl)prop-2-enehydrazide
CID 17227271
2-(2,4-dibromo-6-methylphenoxy)acetate
CID 6921474
N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504132
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]tetradecanehydrazide?
The IUPAC name of N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]tetradecanehydrazide (CID 54792259) is N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]tetradecanehydrazide.
What is the SMILES notation for N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]tetradecanehydrazide?
The canonical SMILES for N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]tetradecanehydrazide is CCCCCCCCCCCCCC(=O)NNC(=O)COc1c(C)cc(Br)cc1Br.
What is the InChIKey of N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]tetradecanehydrazide?
The InChIKey is DXNPGZZCBFZTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36Br2N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-21(28)26-27-22(29)17-30-23-18(2)15-19(24)16-20(23)25/h15-16H,3-14,17H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]tetradecanehydrazide?
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]tetradecanehydrazide has a molecular weight of 548.36 g/mol, XLogP of 6.75, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]tetradecanehydrazide is sourced from PubChem (CID 54792259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).