1-N',4-N'-bis[2-(2,4-dibromo-6-methylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide

C26H28Br4N4O6 — CID 4927218

IUPAC1-N',4-N'-bis[2-(2,4-dibromo-6-methylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)C1CCC(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)CC1
InChIInChI=1S/C26H28Br4N4O6/c1-13-7-17(27)9-19(29)23(13)39-11-21(35)31-33-25(37)15-3-5-16(6-4-15)26(38)34-32-22(36)12-40-24-14(2)8-18(28)10-20(24)30/h7-10,15-16H,3-6,11-12H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38)
InChIKeyYATNJGOTWCNGIN-UHFFFAOYSA-N
MW812.15 g/mol
LogP4.91
Rot. Bonds8

About 1-N',4-N'-bis[2-(2,4-dibromo-6-methylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide

1-N',4-N'-bis[2-(2,4-dibromo-6-methylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide (PubChem CID 4927218) has the molecular formula C26H28Br4N4O6 and a molecular weight of 812.15 g/mol. Its IUPAC name is 1-N',4-N'-bis[2-(2,4-dibromo-6-methylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide.

Molecular Properties

Compound Name1-N',4-N'-bis[2-(2,4-dibromo-6-methylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide
PubChem CID4927218
Molecular FormulaC26H28Br4N4O6
Molecular Weight812.15 g/mol
Exact Mass807.87
IUPAC Name1-N',4-N'-bis[2-(2,4-dibromo-6-methylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)C1CCC(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)CC1
InChIInChI=1S/C26H28Br4N4O6/c1-13-7-17(27)9-19(29)23(13)39-11-21(35)31-33-25(37)15-3-5-16(6-4-15)26(38)34-32-22(36)12-40-24-14(2)8-18(28)10-20(24)30/h7-10,15-16H,3-6,11-12H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38)
InChIKeyYATNJGOTWCNGIN-UHFFFAOYSA-N
XLogP4.91
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500812.15
LogP ≤ 54.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-N',4-N'-bis[2-(2,4-dibromo-6-methylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide with MolForge

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Related Compounds

N-[4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4509981
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]tetradecanehydrazide
CID 54792259
N-(azepane-1-carbothioyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3362720
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]pyridine-4-carbohydrazide
CID 3287161
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
4-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzoic acid
CID 28676661
N-[4-[[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 3342780
2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide
CID 19175356
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 17222513
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849

Frequently Asked Questions

What is the IUPAC name of 1-N',4-N'-bis[2-(2,4-dibromo-6-methylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide?
The IUPAC name of 1-N',4-N'-bis[2-(2,4-dibromo-6-methylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide (CID 4927218) is 1-N',4-N'-bis[2-(2,4-dibromo-6-methylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide.
What is the SMILES notation for 1-N',4-N'-bis[2-(2,4-dibromo-6-methylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide?
The canonical SMILES for 1-N',4-N'-bis[2-(2,4-dibromo-6-methylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide is Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)C1CCC(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)CC1.
What is the InChIKey of 1-N',4-N'-bis[2-(2,4-dibromo-6-methylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide?
The InChIKey is YATNJGOTWCNGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Br4N4O6/c1-13-7-17(27)9-19(29)23(13)39-11-21(35)31-33-25(37)15-3-5-16(6-4-15)26(38)34-32-22(36)12-40-24-14(2)8-18(28)10-20(24)30/h7-10,15-16H,3-6,11-12H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38).
What are the key properties of 1-N',4-N'-bis[2-(2,4-dibromo-6-methylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide?
1-N',4-N'-bis[2-(2,4-dibromo-6-methylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide has a molecular weight of 812.15 g/mol, XLogP of 4.91, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',4-N'-bis[2-(2,4-dibromo-6-methylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide is sourced from PubChem (CID 4927218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).