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

C12H7BrClNO4 — CID 113432385

IUPAC5-[(2-bromo-5-chlorophenyl)carbamoyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)Nc2cc(Cl)ccc2Br)c1
InChIInChI=1S/C12H7BrClNO4/c13-8-2-1-7(14)4-9(8)15-11(16)10-3-6(5-19-10)12(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyUSSIYJUTYSUXRW-UHFFFAOYSA-N
MW344.55 g/mol
LogP3.65
Rot. Bonds3

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

5-[(2-bromo-5-chlorophenyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 113432385) has the molecular formula C12H7BrClNO4 and a molecular weight of 344.55 g/mol. Its IUPAC name is 5-[(2-bromo-5-chlorophenyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-bromo-5-chlorophenyl)carbamoyl]furan-3-carboxylic acid
PubChem CID113432385
Molecular FormulaC12H7BrClNO4
Molecular Weight344.55 g/mol
Exact Mass342.92
IUPAC Name5-[(2-bromo-5-chlorophenyl)carbamoyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)Nc2cc(Cl)ccc2Br)c1
InChIInChI=1S/C12H7BrClNO4/c13-8-2-1-7(14)4-9(8)15-11(16)10-3-6(5-19-10)12(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyUSSIYJUTYSUXRW-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-[(5-bromo-2-chlorophenyl)carbamoyl]furan-3-carboxylic acid
CID 104607536
5-[(4-bromo-2-chlorophenyl)carbamoyl]furan-3-carboxylic acid
CID 113432204
4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid
CID 107812538
5-[(3-chlorophenyl)carbamoyl]furan-3-carboxylic acid
CID 113432211
N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide
CID 81272185
5-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
CID 107593473
5-[(2-chloro-5-methylphenyl)carbamoyl]furan-3-carboxylic acid
CID 106704067
N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide
CID 81261644
N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 81271946
4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid
CID 107812540
N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 81271612
4-bromo-3-[[4-[(2-bromo-5-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid
CID 102504163

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-5-chlorophenyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(2-bromo-5-chlorophenyl)carbamoyl]furan-3-carboxylic acid (CID 113432385) is 5-[(2-bromo-5-chlorophenyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(2-bromo-5-chlorophenyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(2-bromo-5-chlorophenyl)carbamoyl]furan-3-carboxylic acid is O=C(O)c1coc(C(=O)Nc2cc(Cl)ccc2Br)c1.
What is the InChIKey of 5-[(2-bromo-5-chlorophenyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is USSIYJUTYSUXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClNO4/c13-8-2-1-7(14)4-9(8)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-[(2-bromo-5-chlorophenyl)carbamoyl]furan-3-carboxylic acid?
5-[(2-bromo-5-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-[(2-bromo-5-chlorophenyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 113432385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).