5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide

C12H11BrN2O2 — CID 50879311

IUPAC5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide
SMILESCc1ccc(-c2ccc(C(=O)NN)o2)c(Br)c1
InChIInChI=1S/C12H11BrN2O2/c1-7-2-3-8(9(13)6-7)10-4-5-11(17-10)12(16)15-14/h2-6H,14H2,1H3,(H,15,16)
InChIKeyTUZVUDAERNZDEC-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.62
Rot. Bonds2

About 5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide

5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide (PubChem CID 50879311) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide
PubChem CID50879311
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide
SMILESCc1ccc(-c2ccc(C(=O)NN)o2)c(Br)c1
InChIInChI=1S/C12H11BrN2O2/c1-7-2-3-8(9(13)6-7)10-4-5-11(17-10)12(16)15-14/h2-6H,14H2,1H3,(H,15,16)
InChIKeyTUZVUDAERNZDEC-UHFFFAOYSA-N
XLogP2.62
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-bromo-4-methoxyphenyl)furan-2-carbohydrazide
CID 50879299
N-(3-aminophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
CID 100817326
N-(2-amino-4-bromophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
CID 91687510
N-(3-amino-4-methylphenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
CID 100817322
5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide
CID 94675227
5-(4-amino-2-bromophenyl)furan-2-carboxylic acid
CID 95911190
5-(2-bromo-4-chlorophenyl)-N-hydroxyfuran-2-carboxamide
CID 91678246
5-(4-bromo-2-nitrophenyl)furan-2-carbohydrazide
CID 95911264
N-(5-amino-2-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide
CID 100817426
5-(4-bromophenyl)furan-2-carbohydrazide
CID 4697634
methyl 5-(2,4-dibromophenyl)furan-2-carboxylate
CID 95910400
N-(4-amino-2-bromo-6-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide
CID 100816695

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide?
The IUPAC name of 5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide (CID 50879311) is 5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide?
The canonical SMILES for 5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide is Cc1ccc(-c2ccc(C(=O)NN)o2)c(Br)c1.
What is the InChIKey of 5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide?
The InChIKey is TUZVUDAERNZDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-7-2-3-8(9(13)6-7)10-4-5-11(17-10)12(16)15-14/h2-6H,14H2,1H3,(H,15,16).
What are the key properties of 5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide?
5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide has a molecular weight of 295.14 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide is sourced from PubChem (CID 50879311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).