2-[2-[(5-methyl-1-benzofuran-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid

C22H21NO4 — CID 135337241

IUPAC2-[2-[(5-methyl-1-benzofuran-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid
SMILESCc1ccc2oc(CNC(=O)C3(CC(=O)O)Cc4ccccc4C3)cc2c1
InChIInChI=1S/C22H21NO4/c1-14-6-7-19-17(8-14)9-18(27-19)13-23-21(26)22(12-20(24)25)10-15-4-2-3-5-16(15)11-22/h2-9H,10-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyTXZWMIMYBJEFEK-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.62
Rot. Bonds5

About 2-[2-[(5-methyl-1-benzofuran-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid

2-[2-[(5-methyl-1-benzofuran-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid (PubChem CID 135337241) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-[2-[(5-methyl-1-benzofuran-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-methyl-1-benzofuran-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid
PubChem CID135337241
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name2-[2-[(5-methyl-1-benzofuran-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid
SMILESCc1ccc2oc(CNC(=O)C3(CC(=O)O)Cc4ccccc4C3)cc2c1
InChIInChI=1S/C22H21NO4/c1-14-6-7-19-17(8-14)9-18(27-19)13-23-21(26)22(12-20(24)25)10-15-4-2-3-5-16(15)11-22/h2-9H,10-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyTXZWMIMYBJEFEK-UHFFFAOYSA-N
XLogP3.62
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(5-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
CID 167840729
N-[(5-methyl-1-benzofuran-2-yl)methyl]aniline
CID 55013176
N-[(5-methyl-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide
CID 166158839
2-[2-[[4-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazol-2-yl]methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid
CID 146469352
2-[2-[(5-propyl-1,3-benzothiazol-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid
CID 175001047
2,2-dimethyl-3-(5-methyl-1-benzofuran-2-yl)propanoic acid
CID 117195137
N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 115598745
1-[(5-methyl-1-benzofuran-2-yl)methyl]-3-(1-oxo-2H-isoquinolin-6-yl)urea
CID 167772771
2-[[[2-(carboxymethyl)-1,3-dihydroindene-2-carbonyl]amino]methyl]-1,3-benzothiazole-4-sulfinate
CID 166768092
2-[2-[[5-(3-aminoprop-1-enyl)-1,3-benzothiazol-2-yl]methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid
CID 135338891
2-[(4-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
CID 65406805
4-hydroxy-N-[(5-methyl-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 166268886

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methyl-1-benzofuran-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid?
The IUPAC name of 2-[2-[(5-methyl-1-benzofuran-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid (CID 135337241) is 2-[2-[(5-methyl-1-benzofuran-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid.
What is the SMILES notation for 2-[2-[(5-methyl-1-benzofuran-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid?
The canonical SMILES for 2-[2-[(5-methyl-1-benzofuran-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid is Cc1ccc2oc(CNC(=O)C3(CC(=O)O)Cc4ccccc4C3)cc2c1.
What is the InChIKey of 2-[2-[(5-methyl-1-benzofuran-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid?
The InChIKey is TXZWMIMYBJEFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-14-6-7-19-17(8-14)9-18(27-19)13-23-21(26)22(12-20(24)25)10-15-4-2-3-5-16(15)11-22/h2-9H,10-13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-[2-[(5-methyl-1-benzofuran-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid?
2-[2-[(5-methyl-1-benzofuran-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid has a molecular weight of 363.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methyl-1-benzofuran-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid is sourced from PubChem (CID 135337241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).