5-(4-bromophenyl)furan-2-carbohydrazide

C11H9BrN2O2 — CID 4697634

IUPAC5-(4-bromophenyl)furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C11H9BrN2O2/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)11(15)14-13/h1-6H,13H2,(H,14,15)
InChIKeyVXWQHYWLQUFWIZ-UHFFFAOYSA-N
MW281.11 g/mol
LogP2.31
Rot. Bonds2

About 5-(4-bromophenyl)furan-2-carbohydrazide

5-(4-bromophenyl)furan-2-carbohydrazide (PubChem CID 4697634) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is 5-(4-bromophenyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-(4-bromophenyl)furan-2-carbohydrazide
PubChem CID4697634
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name5-(4-bromophenyl)furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C11H9BrN2O2/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)11(15)14-13/h1-6H,13H2,(H,14,15)
InChIKeyVXWQHYWLQUFWIZ-UHFFFAOYSA-N
XLogP2.31
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.31
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-(4-cyanophenyl)furan-2-carbohydrazide
CID 91684313
5-(4-bromophenyl)-N-tert-butylfuran-2-carboxamide
CID 1370910
N-(3-aminophenyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 91689981
5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide
CID 94675227
N-(5-amino-2-methoxyphenyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 91689986
5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide
CID 17335172
N-(3-amino-4-fluorophenyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 91689995
5-(4-bromophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-2-carboxamide
CID 3301806
5-(4-bromo-2-nitrophenyl)furan-2-carbohydrazide
CID 95911264
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-methylfuran-2-carboxamide
CID 46683025
dimethyl 5-[[5-(4-bromophenyl)furan-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 1323777
5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
CID 2275315

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)furan-2-carbohydrazide?
The IUPAC name of 5-(4-bromophenyl)furan-2-carbohydrazide (CID 4697634) is 5-(4-bromophenyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-(4-bromophenyl)furan-2-carbohydrazide?
The canonical SMILES for 5-(4-bromophenyl)furan-2-carbohydrazide is NNC(=O)c1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 5-(4-bromophenyl)furan-2-carbohydrazide?
The InChIKey is VXWQHYWLQUFWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)11(15)14-13/h1-6H,13H2,(H,14,15).
What are the key properties of 5-(4-bromophenyl)furan-2-carbohydrazide?
5-(4-bromophenyl)furan-2-carbohydrazide has a molecular weight of 281.11 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)furan-2-carbohydrazide is sourced from PubChem (CID 4697634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).