3-(1-benzofuran-2-carbonylamino)-4-fluorobenzoic acid

C16H10FNO4 — CID 75414482

IUPAC3-(1-benzofuran-2-carbonylamino)-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)c(NC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C16H10FNO4/c17-11-6-5-10(16(20)21)7-12(11)18-15(19)14-8-9-3-1-2-4-13(9)22-14/h1-8H,(H,18,19)(H,20,21)
InChIKeyMKWBSQITQQRUBU-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.52
Rot. Bonds3

About 3-(1-benzofuran-2-carbonylamino)-4-fluorobenzoic acid

3-(1-benzofuran-2-carbonylamino)-4-fluorobenzoic acid (PubChem CID 75414482) has the molecular formula C16H10FNO4 and a molecular weight of 299.26 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonylamino)-4-fluorobenzoic acid.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonylamino)-4-fluorobenzoic acid
PubChem CID75414482
Molecular FormulaC16H10FNO4
Molecular Weight299.26 g/mol
Exact Mass299.06
IUPAC Name3-(1-benzofuran-2-carbonylamino)-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)c(NC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C16H10FNO4/c17-11-6-5-10(16(20)21)7-12(11)18-15(19)14-8-9-3-1-2-4-13(9)22-14/h1-8H,(H,18,19)(H,20,21)
InChIKeyMKWBSQITQQRUBU-UHFFFAOYSA-N
XLogP3.52
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-bis(1-benzofuran-2-carbonylamino)benzoic acid
CID 17296766
N-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 24697022
3-[(5-bromofuran-2-carbonyl)amino]-4-fluorobenzoic acid
CID 60748683
5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 9138991
N-(2-phenylphenyl)-1-benzofuran-2-carboxamide
CID 2473887
N-(2-amino-6-fluorophenyl)-1-benzofuran-2-carboxamide
CID 81315294
N-(2-cyano-4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 79953678
4-fluoro-3-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496348
N-(3,5-dichloro-2-hydroxyphenyl)-1-benzofuran-2-carboxamide
CID 103891115
N-(2-phenoxyphenyl)-1-benzofuran-2-carboxamide
CID 2497370
3-acetamido-N-[1-benzofuran-2-yl(phenyl)methyl]-4-fluorobenzamide
CID 60569246
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonylamino)-4-fluorobenzoic acid?
The IUPAC name of 3-(1-benzofuran-2-carbonylamino)-4-fluorobenzoic acid (CID 75414482) is 3-(1-benzofuran-2-carbonylamino)-4-fluorobenzoic acid.
What is the SMILES notation for 3-(1-benzofuran-2-carbonylamino)-4-fluorobenzoic acid?
The canonical SMILES for 3-(1-benzofuran-2-carbonylamino)-4-fluorobenzoic acid is O=C(O)c1ccc(F)c(NC(=O)c2cc3ccccc3o2)c1.
What is the InChIKey of 3-(1-benzofuran-2-carbonylamino)-4-fluorobenzoic acid?
The InChIKey is MKWBSQITQQRUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO4/c17-11-6-5-10(16(20)21)7-12(11)18-15(19)14-8-9-3-1-2-4-13(9)22-14/h1-8H,(H,18,19)(H,20,21).
What are the key properties of 3-(1-benzofuran-2-carbonylamino)-4-fluorobenzoic acid?
3-(1-benzofuran-2-carbonylamino)-4-fluorobenzoic acid has a molecular weight of 299.26 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonylamino)-4-fluorobenzoic acid is sourced from PubChem (CID 75414482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).