potassium 3-(2-chloroanilino)-1-benzofuran-2-carboxylate

C15H9ClKNO3 — CID 45141552

IUPACpotassium 3-(2-chloroanilino)-1-benzofuran-2-carboxylate
SMILESO=C([O-])c1oc2ccccc2c1Nc1ccccc1Cl.[K+]
InChIInChI=1S/C15H10ClNO3.K/c16-10-6-2-3-7-11(10)17-13-9-5-1-4-8-12(9)20-14(13)15(18)19;/h1-8,17H,(H,18,19);/q;+1/p-1
InChIKeyLDJRPISBLYJRFG-UHFFFAOYSA-M
MW325.79 g/mol
LogP0.20
Rot. Bonds3

About potassium 3-(2-chloroanilino)-1-benzofuran-2-carboxylate

potassium 3-(2-chloroanilino)-1-benzofuran-2-carboxylate (PubChem CID 45141552) has the molecular formula C15H9ClKNO3 and a molecular weight of 325.79 g/mol. Its IUPAC name is potassium 3-(2-chloroanilino)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namepotassium 3-(2-chloroanilino)-1-benzofuran-2-carboxylate
PubChem CID45141552
Molecular FormulaC15H9ClKNO3
Molecular Weight325.79 g/mol
Exact Mass324.99
IUPAC Namepotassium 3-(2-chloroanilino)-1-benzofuran-2-carboxylate
SMILESO=C([O-])c1oc2ccccc2c1Nc1ccccc1Cl.[K+]
InChIInChI=1S/C15H10ClNO3.K/c16-10-6-2-3-7-11(10)17-13-9-5-1-4-8-12(9)20-14(13)15(18)19;/h1-8,17H,(H,18,19);/q;+1/p-1
InChIKeyLDJRPISBLYJRFG-UHFFFAOYSA-M
XLogP0.20
TPSA65.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze potassium 3-(2-chloroanilino)-1-benzofuran-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chloroanilino)-1-benzofuran-2-carbohydrazide
CID 45141747
N-(2-chlorophenyl)-4-oxochromene-2-carboxamide
CID 892812
3-acetamido-5-chloro-1-benzofuran-2-carboxylate
CID 6949708
2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 7463653
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 8739005
3-chloro-2-(2-chloroanilino)benzoic acid
CID 615153
3-[(2,3-dichlorophenyl)sulfonylamino]-1-benzofuran-2-carboxamide
CID 8842675
3-(2-carboxy-1-benzofuran-3-yl)-1-benzofuran-2-carboxylic acid
CID 164666500
2-[(3-nitro-2-oxochromen-4-yl)amino]benzoyl chloride
CID 14400812
2-chloro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 17462897
1-(2-chlorophenyl)-3-[4-(cyclopentylamino)-2-oxochromen-3-yl]urea
CID 35397259
3-(3-chloropropanoylamino)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7159781

Frequently Asked Questions

What is the IUPAC name of potassium 3-(2-chloroanilino)-1-benzofuran-2-carboxylate?
The IUPAC name of potassium 3-(2-chloroanilino)-1-benzofuran-2-carboxylate (CID 45141552) is potassium 3-(2-chloroanilino)-1-benzofuran-2-carboxylate.
What is the SMILES notation for potassium 3-(2-chloroanilino)-1-benzofuran-2-carboxylate?
The canonical SMILES for potassium 3-(2-chloroanilino)-1-benzofuran-2-carboxylate is O=C([O-])c1oc2ccccc2c1Nc1ccccc1Cl.[K+].
What is the InChIKey of potassium 3-(2-chloroanilino)-1-benzofuran-2-carboxylate?
The InChIKey is LDJRPISBLYJRFG-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H10ClNO3.K/c16-10-6-2-3-7-11(10)17-13-9-5-1-4-8-12(9)20-14(13)15(18)19;/h1-8,17H,(H,18,19);/q;+1/p-1.
What are the key properties of potassium 3-(2-chloroanilino)-1-benzofuran-2-carboxylate?
potassium 3-(2-chloroanilino)-1-benzofuran-2-carboxylate has a molecular weight of 325.79 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-(2-chloroanilino)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 45141552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).