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

C21H23Br3N2O4 — CID 17350895

IUPAC5-bromo-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(3-methylbutoxy)benzohydrazide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1cc(Br)ccc1OCCC(C)C
InChIInChI=1S/C21H23Br3N2O4/c1-12(2)6-7-29-18-5-4-14(22)9-16(18)21(28)26-25-19(27)11-30-20-13(3)8-15(23)10-17(20)24/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyLQVNXXZWXTZUHX-UHFFFAOYSA-N
MW607.14 g/mol
LogP5.55
Rot. Bonds8

About 5-bromo-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(3-methylbutoxy)benzohydrazide

5-bromo-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(3-methylbutoxy)benzohydrazide (PubChem CID 17350895) has the molecular formula C21H23Br3N2O4 and a molecular weight of 607.14 g/mol. Its IUPAC name is 5-bromo-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(3-methylbutoxy)benzohydrazide.

Molecular Properties

Compound Name5-bromo-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(3-methylbutoxy)benzohydrazide
PubChem CID17350895
Molecular FormulaC21H23Br3N2O4
Molecular Weight607.14 g/mol
Exact Mass603.92
IUPAC Name5-bromo-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(3-methylbutoxy)benzohydrazide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1cc(Br)ccc1OCCC(C)C
InChIInChI=1S/C21H23Br3N2O4/c1-12(2)6-7-29-18-5-4-14(22)9-16(18)21(28)26-25-19(27)11-30-20-13(3)8-15(23)10-17(20)24/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyLQVNXXZWXTZUHX-UHFFFAOYSA-N
XLogP5.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.14
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(3-methylbutoxy)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(3-methylbutoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17350845
5-bromo-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 17351158
5-bromo-2-(3-methylbutoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
CID 17350916
5-bromo-N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-methoxyethoxy)benzohydrazide
CID 17357343
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-pentoxybenzohydrazide
CID 4946860
4-[2-[5-bromo-2-(3-methylbutoxy)benzoyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide
CID 17350890
5-bromo-2-(3-methylbutoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 17350932
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetohydrazide
CID 3335299
5-bromo-N-[[(2-methylbenzoyl)amino]carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 17351164
5-bromo-N'-[2-(2,4-dibromophenoxy)acetyl]-2-ethoxybenzohydrazide
CID 17353057
5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide
CID 17350689
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]pyridine-4-carbohydrazide
CID 3287161

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(3-methylbutoxy)benzohydrazide?
The IUPAC name of 5-bromo-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(3-methylbutoxy)benzohydrazide (CID 17350895) is 5-bromo-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(3-methylbutoxy)benzohydrazide.
What is the SMILES notation for 5-bromo-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(3-methylbutoxy)benzohydrazide?
The canonical SMILES for 5-bromo-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(3-methylbutoxy)benzohydrazide is Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1cc(Br)ccc1OCCC(C)C.
What is the InChIKey of 5-bromo-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(3-methylbutoxy)benzohydrazide?
The InChIKey is LQVNXXZWXTZUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Br3N2O4/c1-12(2)6-7-29-18-5-4-14(22)9-16(18)21(28)26-25-19(27)11-30-20-13(3)8-15(23)10-17(20)24/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 5-bromo-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(3-methylbutoxy)benzohydrazide?
5-bromo-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(3-methylbutoxy)benzohydrazide has a molecular weight of 607.14 g/mol, XLogP of 5.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(3-methylbutoxy)benzohydrazide is sourced from PubChem (CID 17350895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).