N'-[2-(2,4-dibromophenoxy)acetyl]-3-iodo-4-methylbenzohydrazide

C16H13Br2IN2O3 — CID 3412402

IUPACN'-[2-(2,4-dibromophenoxy)acetyl]-3-iodo-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1I
InChIInChI=1S/C16H13Br2IN2O3/c1-9-2-3-10(6-13(9)19)16(23)21-20-15(22)8-24-14-5-4-11(17)7-12(14)18/h2-7H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyTUSWOZAYMVEHJO-UHFFFAOYSA-N
MW568.00 g/mol
LogP3.96
Rot. Bonds4

About N'-[2-(2,4-dibromophenoxy)acetyl]-3-iodo-4-methylbenzohydrazide

N'-[2-(2,4-dibromophenoxy)acetyl]-3-iodo-4-methylbenzohydrazide (PubChem CID 3412402) has the molecular formula C16H13Br2IN2O3 and a molecular weight of 568.00 g/mol. Its IUPAC name is N'-[2-(2,4-dibromophenoxy)acetyl]-3-iodo-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dibromophenoxy)acetyl]-3-iodo-4-methylbenzohydrazide
PubChem CID3412402
Molecular FormulaC16H13Br2IN2O3
Molecular Weight568.00 g/mol
Exact Mass565.83
IUPAC NameN'-[2-(2,4-dibromophenoxy)acetyl]-3-iodo-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1I
InChIInChI=1S/C16H13Br2IN2O3/c1-9-2-3-10(6-13(9)19)16(23)21-20-15(22)8-24-14-5-4-11(17)7-12(14)18/h2-7H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyTUSWOZAYMVEHJO-UHFFFAOYSA-N
XLogP3.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.00
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamothioyl]-3-iodo-4-methylbenzamide
CID 3466886
3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide
CID 54790769
3-iodo-4-methyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 3412471
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 1047378
4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide
CID 54790834
N'-[2-(2,4-dibromophenoxy)acetyl]-2-methylfuran-3-carbohydrazide
CID 3931565
5-bromo-N'-[2-(2,4-dibromophenoxy)acetyl]-2-ethoxybenzohydrazide
CID 17353057
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 4922414
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 4930160
3-bromo-N'-[2-(2,3-dimethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351938
N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-2-(2,4-dibromophenoxy)acetamide
CID 3341936
N-[4-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4508218

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dibromophenoxy)acetyl]-3-iodo-4-methylbenzohydrazide?
The IUPAC name of N'-[2-(2,4-dibromophenoxy)acetyl]-3-iodo-4-methylbenzohydrazide (CID 3412402) is N'-[2-(2,4-dibromophenoxy)acetyl]-3-iodo-4-methylbenzohydrazide.
What is the SMILES notation for N'-[2-(2,4-dibromophenoxy)acetyl]-3-iodo-4-methylbenzohydrazide?
The canonical SMILES for N'-[2-(2,4-dibromophenoxy)acetyl]-3-iodo-4-methylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1I.
What is the InChIKey of N'-[2-(2,4-dibromophenoxy)acetyl]-3-iodo-4-methylbenzohydrazide?
The InChIKey is TUSWOZAYMVEHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2IN2O3/c1-9-2-3-10(6-13(9)19)16(23)21-20-15(22)8-24-14-5-4-11(17)7-12(14)18/h2-7H,8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2,4-dibromophenoxy)acetyl]-3-iodo-4-methylbenzohydrazide?
N'-[2-(2,4-dibromophenoxy)acetyl]-3-iodo-4-methylbenzohydrazide has a molecular weight of 568.00 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dibromophenoxy)acetyl]-3-iodo-4-methylbenzohydrazide is sourced from PubChem (CID 3412402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).