(4-bromo-1H-indol-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone

C17H12BrNO2 — CID 115351607

IUPAC(4-bromo-1H-indol-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
SMILESO=C(c1ccc2c(c1)COC2)c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C17H12BrNO2/c18-14-2-1-3-15-16(14)13(7-19-15)17(20)10-4-5-11-8-21-9-12(11)6-10/h1-7,19H,8-9H2
InChIKeySYUXYDCYKYMIQQ-UHFFFAOYSA-N
MW342.19 g/mol
LogP4.19
Rot. Bonds2

About (4-bromo-1H-indol-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone

(4-bromo-1H-indol-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone (PubChem CID 115351607) has the molecular formula C17H12BrNO2 and a molecular weight of 342.19 g/mol. Its IUPAC name is (4-bromo-1H-indol-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1H-indol-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
PubChem CID115351607
Molecular FormulaC17H12BrNO2
Molecular Weight342.19 g/mol
Exact Mass341.01
IUPAC Name(4-bromo-1H-indol-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
SMILESO=C(c1ccc2c(c1)COC2)c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C17H12BrNO2/c18-14-2-1-3-15-16(14)13(7-19-15)17(20)10-4-5-11-8-21-9-12(11)6-10/h1-7,19H,8-9H2
InChIKeySYUXYDCYKYMIQQ-UHFFFAOYSA-N
XLogP4.19
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-bromo-1H-indol-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

2,3-dihydro-1H-inden-5-yl-(4-fluoro-1H-indol-3-yl)methanone
CID 82782504
(4-bromo-1H-indol-3-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115351557
(3-amino-2-bromophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 113367216
(3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 81472357
(2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone
CID 115352092
(3-bromo-4-chlorophenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 107998363
2-(4-bromo-1H-indole-3-carbonyl)benzoic acid
CID 115351658
(4-bromo-1H-indol-3-yl)-(2-bromo-5-methylphenyl)methanone
CID 115351639
1,3-dihydro-2-benzofuran-5-yl-(2,3-dimethylphenyl)methanone
CID 63019871
(2,3-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 55145593
2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone
CID 115351482
(2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone
CID 115549855

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-indol-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone?
The IUPAC name of (4-bromo-1H-indol-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone (CID 115351607) is (4-bromo-1H-indol-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone.
What is the SMILES notation for (4-bromo-1H-indol-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone?
The canonical SMILES for (4-bromo-1H-indol-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone is O=C(c1ccc2c(c1)COC2)c1c[nH]c2cccc(Br)c12.
What is the InChIKey of (4-bromo-1H-indol-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone?
The InChIKey is SYUXYDCYKYMIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO2/c18-14-2-1-3-15-16(14)13(7-19-15)17(20)10-4-5-11-8-21-9-12(11)6-10/h1-7,19H,8-9H2.
What are the key properties of (4-bromo-1H-indol-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone?
(4-bromo-1H-indol-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone has a molecular weight of 342.19 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-indol-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone is sourced from PubChem (CID 115351607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).