3-chloro-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]benzohydrazide

C16H13Br2ClN2O3 — CID 4504590

IUPAC3-chloro-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]benzohydrazide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H13Br2ClN2O3/c1-9-5-11(17)7-13(18)15(9)24-8-14(22)20-21-16(23)10-3-2-4-12(19)6-10/h2-7H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyGLFVEXDAIMMDRN-UHFFFAOYSA-N
MW476.55 g/mol
LogP4.01
Rot. Bonds4

About 3-chloro-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]benzohydrazide

3-chloro-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]benzohydrazide (PubChem CID 4504590) has the molecular formula C16H13Br2ClN2O3 and a molecular weight of 476.55 g/mol. Its IUPAC name is 3-chloro-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]benzohydrazide
PubChem CID4504590
Molecular FormulaC16H13Br2ClN2O3
Molecular Weight476.55 g/mol
Exact Mass473.90
IUPAC Name3-chloro-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]benzohydrazide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H13Br2ClN2O3/c1-9-5-11(17)7-13(18)15(9)24-8-14(22)20-21-16(23)10-3-2-4-12(19)6-10/h2-7H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyGLFVEXDAIMMDRN-UHFFFAOYSA-N
XLogP4.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-propan-2-yloxybenzohydrazide
CID 17142573
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]pyridine-4-carbohydrazide
CID 3287161
N-[4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylbenzamide
CID 4504600
(E)-3-(2-chlorophenyl)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]prop-2-enehydrazide
CID 6133360
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 5245314
2-(4-chlorophenoxy)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]propanehydrazide
CID 4944212
2-(4-chlorophenyl)-N-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4937167
N-[[[2-(4-chlorophenoxy)acetyl]amino]carbamothioyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4509663
3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide
CID 54790769
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide
CID 4938237
N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504132
3-chloro-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 7918329

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 3-chloro-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]benzohydrazide (CID 4504590) is 3-chloro-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 3-chloro-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 3-chloro-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]benzohydrazide is Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]benzohydrazide?
The InChIKey is GLFVEXDAIMMDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2ClN2O3/c1-9-5-11(17)7-13(18)15(9)24-8-14(22)20-21-16(23)10-3-2-4-12(19)6-10/h2-7H,8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-chloro-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]benzohydrazide?
3-chloro-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]benzohydrazide has a molecular weight of 476.55 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 4504590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).