5-[(5-bromo-2-chlorophenyl)carbamoyl]furan-3-carboxylic acid

C12H7BrClNO4 — CID 104607536

IUPAC5-[(5-bromo-2-chlorophenyl)carbamoyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)Nc2cc(Br)ccc2Cl)c1
InChIInChI=1S/C12H7BrClNO4/c13-7-1-2-8(14)9(4-7)15-11(16)10-3-6(5-19-10)12(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyZWIMJIWOKJTVBB-UHFFFAOYSA-N
MW344.55 g/mol
LogP3.65
Rot. Bonds3

About 5-[(5-bromo-2-chlorophenyl)carbamoyl]furan-3-carboxylic acid

5-[(5-bromo-2-chlorophenyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 104607536) has the molecular formula C12H7BrClNO4 and a molecular weight of 344.55 g/mol. Its IUPAC name is 5-[(5-bromo-2-chlorophenyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(5-bromo-2-chlorophenyl)carbamoyl]furan-3-carboxylic acid
PubChem CID104607536
Molecular FormulaC12H7BrClNO4
Molecular Weight344.55 g/mol
Exact Mass342.92
IUPAC Name5-[(5-bromo-2-chlorophenyl)carbamoyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)Nc2cc(Br)ccc2Cl)c1
InChIInChI=1S/C12H7BrClNO4/c13-7-1-2-8(14)9(4-7)15-11(16)10-3-6(5-19-10)12(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyZWIMJIWOKJTVBB-UHFFFAOYSA-N
XLogP3.65
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.55
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-bromo-2-chlorophenyl)carbamoyl]furan-3-carboxylic acid
CID 113432204
5-[(2-chloro-5-methylphenyl)carbamoyl]furan-3-carboxylic acid
CID 106704067
5-[(2-bromo-5-chlorophenyl)carbamoyl]furan-3-carboxylic acid
CID 113432385
N-(5-bromo-2-chlorophenyl)-1,2-oxazole-5-carboxamide
CID 55211541
5-[(3-bromophenyl)carbamoyl]furan-3-carboxylic acid
CID 104607089
4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367860
3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide
CID 107939178
5-[(4-chloro-3-methoxyphenyl)carbamoyl]furan-3-carboxylic acid
CID 107622770
N-(5-bromo-2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 55208813
5-[(3-chlorophenyl)carbamoyl]furan-3-carboxylic acid
CID 113432211
N-(5-bromo-2-chlorophenyl)-5-iodothiophene-3-carboxamide
CID 78948478
3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide
CID 62915199

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-chlorophenyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(5-bromo-2-chlorophenyl)carbamoyl]furan-3-carboxylic acid (CID 104607536) is 5-[(5-bromo-2-chlorophenyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(5-bromo-2-chlorophenyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(5-bromo-2-chlorophenyl)carbamoyl]furan-3-carboxylic acid is O=C(O)c1coc(C(=O)Nc2cc(Br)ccc2Cl)c1.
What is the InChIKey of 5-[(5-bromo-2-chlorophenyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is ZWIMJIWOKJTVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClNO4/c13-7-1-2-8(14)9(4-7)15-11(16)10-3-6(5-19-10)12(17)18/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 5-[(5-bromo-2-chlorophenyl)carbamoyl]furan-3-carboxylic acid?
5-[(5-bromo-2-chlorophenyl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 344.55 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-chlorophenyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 104607536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).