4-bromo-2-(furan-3-carbonylamino)benzoic acid

C12H8BrNO4 — CID 54932571

IUPAC4-bromo-2-(furan-3-carbonylamino)benzoic acid
SMILESO=C(Nc1cc(Br)ccc1C(=O)O)c1ccoc1
InChIInChI=1S/C12H8BrNO4/c13-8-1-2-9(12(16)17)10(5-8)14-11(15)7-3-4-18-6-7/h1-6H,(H,14,15)(H,16,17)
InChIKeyZBVNZXSJVOQBBU-UHFFFAOYSA-N
MW310.10 g/mol
LogP2.99
Rot. Bonds3

About 4-bromo-2-(furan-3-carbonylamino)benzoic acid

4-bromo-2-(furan-3-carbonylamino)benzoic acid (PubChem CID 54932571) has the molecular formula C12H8BrNO4 and a molecular weight of 310.10 g/mol. Its IUPAC name is 4-bromo-2-(furan-3-carbonylamino)benzoic acid.

Molecular Properties

Compound Name4-bromo-2-(furan-3-carbonylamino)benzoic acid
PubChem CID54932571
Molecular FormulaC12H8BrNO4
Molecular Weight310.10 g/mol
Exact Mass308.96
IUPAC Name4-bromo-2-(furan-3-carbonylamino)benzoic acid
SMILESO=C(Nc1cc(Br)ccc1C(=O)O)c1ccoc1
InChIInChI=1S/C12H8BrNO4/c13-8-1-2-9(12(16)17)10(5-8)14-11(15)7-3-4-18-6-7/h1-6H,(H,14,15)(H,16,17)
InChIKeyZBVNZXSJVOQBBU-UHFFFAOYSA-N
XLogP2.99
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.10
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-3-carboxamide
CID 107800688
5-chloro-2-(furan-3-carbonylamino)benzoic acid
CID 16771214
4-bromo-2-[(4-bromo-3-fluorobenzoyl)amino]benzoic acid
CID 63405102
4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 107729310
3-(furan-3-carbonylamino)-2-hydroxybenzoic acid
CID 113458385
2-(furan-3-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 66269172
5-chloro-4-(furan-3-carbonylamino)-2-methoxybenzoic acid
CID 43614418
4-bromo-2-[(2-iodobenzoyl)amino]benzoic acid
CID 60916636
2-[(4-bromobenzoyl)amino]-4-fluorobenzoic acid
CID 24709582
4-bromo-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 54933050
4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid
CID 60917051
N-(2-bromo-4-fluorophenyl)furan-3-carboxamide
CID 28938638

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(furan-3-carbonylamino)benzoic acid?
The IUPAC name of 4-bromo-2-(furan-3-carbonylamino)benzoic acid (CID 54932571) is 4-bromo-2-(furan-3-carbonylamino)benzoic acid.
What is the SMILES notation for 4-bromo-2-(furan-3-carbonylamino)benzoic acid?
The canonical SMILES for 4-bromo-2-(furan-3-carbonylamino)benzoic acid is O=C(Nc1cc(Br)ccc1C(=O)O)c1ccoc1.
What is the InChIKey of 4-bromo-2-(furan-3-carbonylamino)benzoic acid?
The InChIKey is ZBVNZXSJVOQBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNO4/c13-8-1-2-9(12(16)17)10(5-8)14-11(15)7-3-4-18-6-7/h1-6H,(H,14,15)(H,16,17).
What are the key properties of 4-bromo-2-(furan-3-carbonylamino)benzoic acid?
4-bromo-2-(furan-3-carbonylamino)benzoic acid has a molecular weight of 310.10 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(furan-3-carbonylamino)benzoic acid is sourced from PubChem (CID 54932571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).