5-[(2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylic acid

C17H13NO5 — CID 146091403

IUPAC5-[(2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylic acid
SMILESCOc1ccccc1C(=O)Nc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C17H13NO5/c1-22-14-5-3-2-4-12(14)16(19)18-11-6-7-13-10(8-11)9-15(23-13)17(20)21/h2-9H,1H3,(H,18,19)(H,20,21)
InChIKeyLLFYUIDOLFTWDL-UHFFFAOYSA-N
MW311.29 g/mol
LogP3.39
Rot. Bonds4

About 5-[(2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylic acid

5-[(2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylic acid (PubChem CID 146091403) has the molecular formula C17H13NO5 and a molecular weight of 311.29 g/mol. Its IUPAC name is 5-[(2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylic acid
PubChem CID146091403
Molecular FormulaC17H13NO5
Molecular Weight311.29 g/mol
Exact Mass311.08
IUPAC Name5-[(2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylic acid
SMILESCOc1ccccc1C(=O)Nc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C17H13NO5/c1-22-14-5-3-2-4-12(14)16(19)18-11-6-7-13-10(8-11)9-15(23-13)17(20)21/h2-9H,1H3,(H,18,19)(H,20,21)
InChIKeyLLFYUIDOLFTWDL-UHFFFAOYSA-N
XLogP3.39
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-benzofuran-2-carbonyl)phenyl]-2-methoxybenzamide
CID 42571061
5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid
CID 71013533
N-(3,4-dimethyl-2-oxochromen-6-yl)-2-methoxybenzamide;ethane
CID 144546170
N-[4-(benzylamino)phenyl]-2-methoxybenzamide
CID 112981909
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 17171705
N-[4-(hydrazinecarbonyl)phenyl]-2-methoxybenzamide
CID 139030098
5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690785
2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 1378119
N-(3-methyl-2-oxochromen-6-yl)-2-propan-2-yloxybenzamide
CID 90364375
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1016170
2-methoxy-N-[2-(4-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568744

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-[(2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylic acid (CID 146091403) is 5-[(2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-[(2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylic acid is COc1ccccc1C(=O)Nc1ccc2oc(C(=O)O)cc2c1.
What is the InChIKey of 5-[(2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylic acid?
The InChIKey is LLFYUIDOLFTWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO5/c1-22-14-5-3-2-4-12(14)16(19)18-11-6-7-13-10(8-11)9-15(23-13)17(20)21/h2-9H,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-[(2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylic acid?
5-[(2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylic acid has a molecular weight of 311.29 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 146091403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).