5-bromo-N-(4-phenyldiazenylphenyl)furan-2-carboxamide

C17H12BrN3O2 — CID 3406026

IUPAC5-bromo-N-(4-phenyldiazenylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(Br)o1
InChIInChI=1S/C17H12BrN3O2/c18-16-11-10-15(23-16)17(22)19-12-6-8-14(9-7-12)21-20-13-4-2-1-3-5-13/h1-11H,(H,19,22)/b21-20+
InChIKeyOBMCFHLLOUEUEX-QZQOTICOSA-N
MW370.21 g/mol
LogP5.71
Rot. Bonds4

About 5-bromo-N-(4-phenyldiazenylphenyl)furan-2-carboxamide

5-bromo-N-(4-phenyldiazenylphenyl)furan-2-carboxamide (PubChem CID 3406026) has the molecular formula C17H12BrN3O2 and a molecular weight of 370.21 g/mol. Its IUPAC name is 5-bromo-N-(4-phenyldiazenylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-phenyldiazenylphenyl)furan-2-carboxamide
PubChem CID3406026
Molecular FormulaC17H12BrN3O2
Molecular Weight370.21 g/mol
Exact Mass369.01
IUPAC Name5-bromo-N-(4-phenyldiazenylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(Br)o1
InChIInChI=1S/C17H12BrN3O2/c18-16-11-10-15(23-16)17(22)19-12-6-8-14(9-7-12)21-20-13-4-2-1-3-5-13/h1-11H,(H,19,22)/b21-20+
InChIKeyOBMCFHLLOUEUEX-QZQOTICOSA-N
XLogP5.71
TPSA66.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.21
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(4-phenylphenyl)furan-2-carboxamide
CID 6624475
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
1-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid
CID 115912857
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 2989629
5-bromo-N-(4-phenyldiazenylphenyl)thiophene-2-carboxamide
CID 18293102
5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
CID 738269
5-bromo-N-[4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1047401
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide
CID 3111249
5-bromo-N-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55786816

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-phenyldiazenylphenyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-phenyldiazenylphenyl)furan-2-carboxamide (CID 3406026) is 5-bromo-N-(4-phenyldiazenylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-phenyldiazenylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-phenyldiazenylphenyl)furan-2-carboxamide is O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(4-phenyldiazenylphenyl)furan-2-carboxamide?
The InChIKey is OBMCFHLLOUEUEX-QZQOTICOSA-N. The full InChI is InChI=1S/C17H12BrN3O2/c18-16-11-10-15(23-16)17(22)19-12-6-8-14(9-7-12)21-20-13-4-2-1-3-5-13/h1-11H,(H,19,22)/b21-20+.
What are the key properties of 5-bromo-N-(4-phenyldiazenylphenyl)furan-2-carboxamide?
5-bromo-N-(4-phenyldiazenylphenyl)furan-2-carboxamide has a molecular weight of 370.21 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-phenyldiazenylphenyl)furan-2-carboxamide is sourced from PubChem (CID 3406026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).