5-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]furan-2-carbohydrazide

C13H9Br2ClN2O4 — CID 4926231

IUPAC5-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]furan-2-carbohydrazide
SMILESO=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H9Br2ClN2O4/c14-8-5-7(16)1-2-9(8)21-6-12(19)17-18-13(20)10-3-4-11(15)22-10/h1-5H,6H2,(H,17,19)(H,18,20)
InChIKeyQCGIBYMVRUBZAF-UHFFFAOYSA-N
MW452.49 g/mol
LogP3.30
Rot. Bonds4

About 5-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]furan-2-carbohydrazide

5-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]furan-2-carbohydrazide (PubChem CID 4926231) has the molecular formula C13H9Br2ClN2O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is 5-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]furan-2-carbohydrazide
PubChem CID4926231
Molecular FormulaC13H9Br2ClN2O4
Molecular Weight452.49 g/mol
Exact Mass449.86
IUPAC Name5-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]furan-2-carbohydrazide
SMILESO=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H9Br2ClN2O4/c14-8-5-7(16)1-2-9(8)21-6-12(19)17-18-13(20)10-3-4-11(15)22-10/h1-5H,6H2,(H,17,19)(H,18,20)
InChIKeyQCGIBYMVRUBZAF-UHFFFAOYSA-N
XLogP3.30
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamothioyl]furan-2-carboxamide
CID 4926419
4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide
CID 54790834
5-bromo-N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 4873374
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 5229550
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 5245314
2-(2-bromo-4-butan-2-ylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide
CID 17189744
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 2457418
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 5229244
N-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamothioyl]-2,4-dichlorobenzamide
CID 4926378
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-thiophen-2-ylacetohydrazide
CID 1366597
N-[4-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]propanamide
CID 5229018
2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 1289065

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]furan-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]furan-2-carbohydrazide (CID 4926231) is 5-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]furan-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]furan-2-carbohydrazide is O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]furan-2-carbohydrazide?
The InChIKey is QCGIBYMVRUBZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2ClN2O4/c14-8-5-7(16)1-2-9(8)21-6-12(19)17-18-13(20)10-3-4-11(15)22-10/h1-5H,6H2,(H,17,19)(H,18,20).
What are the key properties of 5-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]furan-2-carbohydrazide?
5-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]furan-2-carbohydrazide has a molecular weight of 452.49 g/mol, XLogP of 3.30, 4 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-bromo-4-chlorophenoxy)acetyl]furan-2-carbohydrazide is sourced from PubChem (CID 4926231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).