2-[(3-oxo-1H-2-benzofuran-5-yl)carbamoyl]benzoic acid

C16H11NO5 — CID 2810938

IUPAC2-[(3-oxo-1H-2-benzofuran-5-yl)carbamoyl]benzoic acid
SMILESO=C1OCc2ccc(NC(=O)c3ccccc3C(=O)O)cc21
InChIInChI=1S/C16H11NO5/c18-14(11-3-1-2-4-12(11)15(19)20)17-10-6-5-9-8-22-16(21)13(9)7-10/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyWXCOVSNVWAIGIV-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.31
Rot. Bonds3

About 2-[(3-oxo-1H-2-benzofuran-5-yl)carbamoyl]benzoic acid

2-[(3-oxo-1H-2-benzofuran-5-yl)carbamoyl]benzoic acid (PubChem CID 2810938) has the molecular formula C16H11NO5 and a molecular weight of 297.27 g/mol. Its IUPAC name is 2-[(3-oxo-1H-2-benzofuran-5-yl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(3-oxo-1H-2-benzofuran-5-yl)carbamoyl]benzoic acid
PubChem CID2810938
Molecular FormulaC16H11NO5
Molecular Weight297.27 g/mol
Exact Mass297.06
IUPAC Name2-[(3-oxo-1H-2-benzofuran-5-yl)carbamoyl]benzoic acid
SMILESO=C1OCc2ccc(NC(=O)c3ccccc3C(=O)O)cc21
InChIInChI=1S/C16H11NO5/c18-14(11-3-1-2-4-12(11)15(19)20)17-10-6-5-9-8-22-16(21)13(9)7-10/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyWXCOVSNVWAIGIV-UHFFFAOYSA-N
XLogP2.31
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Phthalanilic acid
CID 78458
3'-Methylphthalanilic acid
CID 6821
Ethyl 4-(benzoylamino)benzoate
CID 12914
4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoic acid
CID 246499
Kartogenin
CID 2826191
4-Chloro-N-(3-oxo-1,3-dihydro-isobenzofuran-5-yl)-benzamide
CID 738090
2-Chloro-N-(1,3-dihydro-3-oxo-5-isobenzofuranyl)benzamide
CID 738094
2-(((2,3-Dimethylphenyl)amino)carbonyl)benzoic acid
CID 98770
4'-(Ethoxycarbonyl)succinanilic acid
CID 350282
N-(3,4-Xylyl)phthalamic acid
CID 295107
N-(4-Ethoxycarbonylphenyl)phthalamic acid
CID 4103042
Ethyl 4-[(2-methylbenzoyl)amino]benzoate
CID 689910

Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-1H-2-benzofuran-5-yl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(3-oxo-1H-2-benzofuran-5-yl)carbamoyl]benzoic acid (CID 2810938) is 2-[(3-oxo-1H-2-benzofuran-5-yl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(3-oxo-1H-2-benzofuran-5-yl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(3-oxo-1H-2-benzofuran-5-yl)carbamoyl]benzoic acid is O=C1OCc2ccc(NC(=O)c3ccccc3C(=O)O)cc21.
What is the InChIKey of 2-[(3-oxo-1H-2-benzofuran-5-yl)carbamoyl]benzoic acid?
The InChIKey is WXCOVSNVWAIGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO5/c18-14(11-3-1-2-4-12(11)15(19)20)17-10-6-5-9-8-22-16(21)13(9)7-10/h1-7H,8H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(3-oxo-1H-2-benzofuran-5-yl)carbamoyl]benzoic acid?
2-[(3-oxo-1H-2-benzofuran-5-yl)carbamoyl]benzoic acid has a molecular weight of 297.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-1H-2-benzofuran-5-yl)carbamoyl]benzoic acid is sourced from PubChem (CID 2810938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).