5-bromo-2-(furan-2-carbonylamino)benzoate

C12H7BrNO4- — CID 7046155

IUPAC5-bromo-2-(furan-2-carbonylamino)benzoate
SMILESO=C(Nc1ccc(Br)cc1C(=O)[O-])c1ccco1
InChIInChI=1S/C12H8BrNO4/c13-7-3-4-9(8(6-7)12(16)17)14-11(15)10-2-1-5-18-10/h1-6H,(H,14,15)(H,16,17)/p-1
InChIKeyJHMRYKNRPRSVLP-UHFFFAOYSA-M
MW309.10 g/mol
LogP1.66
Rot. Bonds3

About 5-bromo-2-(furan-2-carbonylamino)benzoate

5-bromo-2-(furan-2-carbonylamino)benzoate (PubChem CID 7046155) has the molecular formula C12H7BrNO4- and a molecular weight of 309.10 g/mol. Its IUPAC name is 5-bromo-2-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name5-bromo-2-(furan-2-carbonylamino)benzoate
PubChem CID7046155
Molecular FormulaC12H7BrNO4-
Molecular Weight309.10 g/mol
Exact Mass307.96
IUPAC Name5-bromo-2-(furan-2-carbonylamino)benzoate
SMILESO=C(Nc1ccc(Br)cc1C(=O)[O-])c1ccco1
InChIInChI=1S/C12H8BrNO4/c13-7-3-4-9(8(6-7)12(16)17)14-11(15)10-2-1-5-18-10/h1-6H,(H,14,15)(H,16,17)/p-1
InChIKeyJHMRYKNRPRSVLP-UHFFFAOYSA-M
XLogP1.66
TPSA82.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.10
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(naphthalene-2-carbonylamino)benzoate
CID 9321752
N-[(4-bromo-2-iodophenyl)carbamothioyl]furan-2-carboxamide
CID 3322322
2-chloro-5-(furan-2-carbonylamino)benzoate
CID 7473194
5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457
N-[(4-bromo-2-methylphenyl)carbamoyl]furan-2-carboxamide
CID 110866599
N-(4-bromo-2-pyridinyl)furan-2-carboxamide
CID 102674239
5-bromo-2-[(6-bromo-2-oxochromene-3-carbonyl)amino]benzoate
CID 6989800
N'-(4-bromobenzoyl)furan-2-carbohydrazide
CID 687073
5-bromo-2-(3-carboxylatopropanoylamino)benzoate
CID 7039982
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
5-bromo-2-[[(E)-3-carboxylatoprop-2-enoyl]amino]benzoate
CID 6058220
N-(2-hydroxyphenyl)furan-2-carboxamide
CID 761889

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(furan-2-carbonylamino)benzoate?
The IUPAC name of 5-bromo-2-(furan-2-carbonylamino)benzoate (CID 7046155) is 5-bromo-2-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for 5-bromo-2-(furan-2-carbonylamino)benzoate?
The canonical SMILES for 5-bromo-2-(furan-2-carbonylamino)benzoate is O=C(Nc1ccc(Br)cc1C(=O)[O-])c1ccco1.
What is the InChIKey of 5-bromo-2-(furan-2-carbonylamino)benzoate?
The InChIKey is JHMRYKNRPRSVLP-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H8BrNO4/c13-7-3-4-9(8(6-7)12(16)17)14-11(15)10-2-1-5-18-10/h1-6H,(H,14,15)(H,16,17)/p-1.
What are the key properties of 5-bromo-2-(furan-2-carbonylamino)benzoate?
5-bromo-2-(furan-2-carbonylamino)benzoate has a molecular weight of 309.10 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 7046155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).