1-(2-chlorophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one

C17H16ClNO — CID 116593548

IUPAC1-(2-chlorophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one
SMILESO=C(Cc1ccccc1Cl)CC1CNc2ccccc21
InChIInChI=1S/C17H16ClNO/c18-16-7-3-1-5-12(16)9-14(20)10-13-11-19-17-8-4-2-6-15(13)17/h1-8,13,19H,9-11H2
InChIKeyCQSRHQJZPCGJKY-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.05
Rot. Bonds4

About 1-(2-chlorophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one

1-(2-chlorophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one (PubChem CID 116593548) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one
PubChem CID116593548
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name1-(2-chlorophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one
SMILESO=C(Cc1ccccc1Cl)CC1CNc2ccccc21
InChIInChI=1S/C17H16ClNO/c18-16-7-3-1-5-12(16)9-14(20)10-13-11-19-17-8-4-2-6-15(13)17/h1-8,13,19H,9-11H2
InChIKeyCQSRHQJZPCGJKY-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chlorophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one 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

1-(4-bromo-2-chlorophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one
CID 116593495
1-(4-bromophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one
CID 116593523
1-(2,3-dihydro-1H-indol-3-yl)-5,5,5-trifluoropentan-2-one
CID 116593583
1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 107361507
2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 107311420
N-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 113464669
N-cyclohexyl-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573809
N-[(4-chlorophenyl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80571757
2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
CID 83020755
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid
CID 80573099
2-(2,3-dihydro-1H-indol-3-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 107217538
N-(3-chlorophenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573961

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one?
The IUPAC name of 1-(2-chlorophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one (CID 116593548) is 1-(2-chlorophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one is O=C(Cc1ccccc1Cl)CC1CNc2ccccc21.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one?
The InChIKey is CQSRHQJZPCGJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c18-16-7-3-1-5-12(16)9-14(20)10-13-11-19-17-8-4-2-6-15(13)17/h1-8,13,19H,9-11H2.
What are the key properties of 1-(2-chlorophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one?
1-(2-chlorophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one has a molecular weight of 285.77 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one is sourced from PubChem (CID 116593548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).