2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

C21H20ClNO2 — CID 18872148

IUPAC2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCc1cc2occ(CC(=O)N3c4ccccc4CC3C)c2c(C)c1Cl
InChIInChI=1S/C21H20ClNO2/c1-12-8-18-20(14(3)21(12)22)16(11-25-18)10-19(24)23-13(2)9-15-6-4-5-7-17(15)23/h4-8,11,13H,9-10H2,1-3H3
InChIKeyVYMCDRSQVFKGJU-UHFFFAOYSA-N
MW353.85 g/mol
LogP5.22
Rot. Bonds2

About 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 18872148) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID18872148
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC Name2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCc1cc2occ(CC(=O)N3c4ccccc4CC3C)c2c(C)c1Cl
InChIInChI=1S/C21H20ClNO2/c1-12-8-18-20(14(3)21(12)22)16(11-25-18)10-19(24)23-13(2)9-15-6-4-5-7-17(15)23/h4-8,11,13H,9-10H2,1-3H3
InChIKeyVYMCDRSQVFKGJU-UHFFFAOYSA-N
XLogP5.22
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.85
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone with MolForge

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 903888
2-(4-chloro-3,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 5076814
2-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 41066115
2-(3-chloro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9099236
2-(4-hydroxyphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 78838862
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
CID 110427435
2-[5-(furan-2-yl)-1,2-oxazol-3-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 30850541
2-(3-bromophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 113098893
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
CID 109011151
3-(2,4-dichlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 100607219
3-(3-chloro-2-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109038364
N-(3-chloro-4-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108955284

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 18872148) is 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is Cc1cc2occ(CC(=O)N3c4ccccc4CC3C)c2c(C)c1Cl.
What is the InChIKey of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is VYMCDRSQVFKGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO2/c1-12-8-18-20(14(3)21(12)22)16(11-25-18)10-19(24)23-13(2)9-15-6-4-5-7-17(15)23/h4-8,11,13H,9-10H2,1-3H3.
What are the key properties of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 353.85 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 18872148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).