2-[2-[(5-bromo-2,3-dihydro-1-benzofuran-3-carbonyl)amino]phenyl]acetic acid

C17H14BrNO4 — CID 167786782

IUPAC2-[2-[(5-bromo-2,3-dihydro-1-benzofuran-3-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)C1COc2ccc(Br)cc21
InChIInChI=1S/C17H14BrNO4/c18-11-5-6-15-12(8-11)13(9-23-15)17(22)19-14-4-2-1-3-10(14)7-16(20)21/h1-6,8,13H,7,9H2,(H,19,22)(H,20,21)
InChIKeyGKMHQKPFJNLPJU-UHFFFAOYSA-N
MW376.21 g/mol
LogP3.19
Rot. Bonds4

About 2-[2-[(5-bromo-2,3-dihydro-1-benzofuran-3-carbonyl)amino]phenyl]acetic acid

2-[2-[(5-bromo-2,3-dihydro-1-benzofuran-3-carbonyl)amino]phenyl]acetic acid (PubChem CID 167786782) has the molecular formula C17H14BrNO4 and a molecular weight of 376.21 g/mol. Its IUPAC name is 2-[2-[(5-bromo-2,3-dihydro-1-benzofuran-3-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-bromo-2,3-dihydro-1-benzofuran-3-carbonyl)amino]phenyl]acetic acid
PubChem CID167786782
Molecular FormulaC17H14BrNO4
Molecular Weight376.21 g/mol
Exact Mass375.01
IUPAC Name2-[2-[(5-bromo-2,3-dihydro-1-benzofuran-3-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)C1COc2ccc(Br)cc21
InChIInChI=1S/C17H14BrNO4/c18-11-5-6-15-12(8-11)13(9-23-15)17(22)19-14-4-2-1-3-10(14)7-16(20)21/h1-6,8,13H,7,9H2,(H,19,22)(H,20,21)
InChIKeyGKMHQKPFJNLPJU-UHFFFAOYSA-N
XLogP3.19
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(5-bromo-2,3-dihydro-1-benzofuran-3-carbonyl)amino]phenyl]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-bromo-2,3-dihydro-1-benzofuran-3-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(5-bromo-2,3-dihydro-1-benzofuran-3-carbonyl)amino]phenyl]acetic acid (CID 167786782) is 2-[2-[(5-bromo-2,3-dihydro-1-benzofuran-3-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(5-bromo-2,3-dihydro-1-benzofuran-3-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(5-bromo-2,3-dihydro-1-benzofuran-3-carbonyl)amino]phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)C1COc2ccc(Br)cc21.
What is the InChIKey of 2-[2-[(5-bromo-2,3-dihydro-1-benzofuran-3-carbonyl)amino]phenyl]acetic acid?
The InChIKey is GKMHQKPFJNLPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO4/c18-11-5-6-15-12(8-11)13(9-23-15)17(22)19-14-4-2-1-3-10(14)7-16(20)21/h1-6,8,13H,7,9H2,(H,19,22)(H,20,21).
What are the key properties of 2-[2-[(5-bromo-2,3-dihydro-1-benzofuran-3-carbonyl)amino]phenyl]acetic acid?
2-[2-[(5-bromo-2,3-dihydro-1-benzofuran-3-carbonyl)amino]phenyl]acetic acid has a molecular weight of 376.21 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-bromo-2,3-dihydro-1-benzofuran-3-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 167786782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).