5-(2-bromo-4-chlorophenyl)-N-hydroxyfuran-2-carboxamide

C11H7BrClNO3 — CID 91678246

IUPAC5-(2-bromo-4-chlorophenyl)-N-hydroxyfuran-2-carboxamide
SMILESO=C(NO)c1ccc(-c2ccc(Cl)cc2Br)o1
InChIInChI=1S/C11H7BrClNO3/c12-8-5-6(13)1-2-7(8)9-3-4-10(17-9)11(15)14-16/h1-5,16H,(H,14,15)
InChIKeyRGYDNQJGQXBUDN-UHFFFAOYSA-N
MW316.54 g/mol
LogP3.48
Rot. Bonds2

About 5-(2-bromo-4-chlorophenyl)-N-hydroxyfuran-2-carboxamide

5-(2-bromo-4-chlorophenyl)-N-hydroxyfuran-2-carboxamide (PubChem CID 91678246) has the molecular formula C11H7BrClNO3 and a molecular weight of 316.54 g/mol. Its IUPAC name is 5-(2-bromo-4-chlorophenyl)-N-hydroxyfuran-2-carboxamide.

Molecular Properties

Compound Name5-(2-bromo-4-chlorophenyl)-N-hydroxyfuran-2-carboxamide
PubChem CID91678246
Molecular FormulaC11H7BrClNO3
Molecular Weight316.54 g/mol
Exact Mass314.93
IUPAC Name5-(2-bromo-4-chlorophenyl)-N-hydroxyfuran-2-carboxamide
SMILESO=C(NO)c1ccc(-c2ccc(Cl)cc2Br)o1
InChIInChI=1S/C11H7BrClNO3/c12-8-5-6(13)1-2-7(8)9-3-4-10(17-9)11(15)14-16/h1-5,16H,(H,14,15)
InChIKeyRGYDNQJGQXBUDN-UHFFFAOYSA-N
XLogP3.48
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.54
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-bromo-6-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide
CID 100816695
N-(5-amino-2-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide
CID 100817426
5-(4-chlorophenyl)-N-hydroxyfuran-2-carboxamide
CID 91678227
5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide
CID 50879311
2-(2-bromo-4-chlorophenyl)-5-methylfuran
CID 54858979
5-(2,4-dibromophenyl)furan-2-carbonyl chloride
CID 17274076
5-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)furan-2-carboxamide
CID 23991423
(E)-3-[5-(2-bromo-4-chlorophenyl)furan-2-yl]prop-2-enoyl chloride
CID 28694182
5-(2-bromo-4-methoxyphenyl)furan-2-carbohydrazide
CID 50879299
N-(5-bromo-6-methyl-2-pyridinyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 2237787
N-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 2238913
N-acetyl-5-(2-amino-4-chlorophenyl)furan-2-carboxamide
CID 91674163

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-chlorophenyl)-N-hydroxyfuran-2-carboxamide?
The IUPAC name of 5-(2-bromo-4-chlorophenyl)-N-hydroxyfuran-2-carboxamide (CID 91678246) is 5-(2-bromo-4-chlorophenyl)-N-hydroxyfuran-2-carboxamide.
What is the SMILES notation for 5-(2-bromo-4-chlorophenyl)-N-hydroxyfuran-2-carboxamide?
The canonical SMILES for 5-(2-bromo-4-chlorophenyl)-N-hydroxyfuran-2-carboxamide is O=C(NO)c1ccc(-c2ccc(Cl)cc2Br)o1.
What is the InChIKey of 5-(2-bromo-4-chlorophenyl)-N-hydroxyfuran-2-carboxamide?
The InChIKey is RGYDNQJGQXBUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNO3/c12-8-5-6(13)1-2-7(8)9-3-4-10(17-9)11(15)14-16/h1-5,16H,(H,14,15).
What are the key properties of 5-(2-bromo-4-chlorophenyl)-N-hydroxyfuran-2-carboxamide?
5-(2-bromo-4-chlorophenyl)-N-hydroxyfuran-2-carboxamide has a molecular weight of 316.54 g/mol, XLogP of 3.48, 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-chlorophenyl)-N-hydroxyfuran-2-carboxamide is sourced from PubChem (CID 91678246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).