2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone

C17H16ClNO — CID 106871189

IUPAC2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
SMILESCc1ccc(CC(=O)c2ccc3c(c2)CCN3)c(Cl)c1
InChIInChI=1S/C17H16ClNO/c1-11-2-3-12(15(18)8-11)10-17(20)14-4-5-16-13(9-14)6-7-19-16/h2-5,8-9,19H,6-7,10H2,1H3
InChIKeyJXEROKXEXMVFKX-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.04
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone

2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone (PubChem CID 106871189) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
PubChem CID106871189
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
SMILESCc1ccc(CC(=O)c2ccc3c(c2)CCN3)c(Cl)c1
InChIInChI=1S/C17H16ClNO/c1-11-2-3-12(15(18)8-11)10-17(20)14-4-5-16-13(9-14)6-7-19-16/h2-5,8-9,19H,6-7,10H2,1H3
InChIKeyJXEROKXEXMVFKX-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554308
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 103052290
2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride
CID 56766314
2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554419
2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone
CID 116554075
2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554333
1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one
CID 39163742
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 116554254
1-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxyphenyl)ethanone
CID 116554091
1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107061812
1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865689

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone (CID 106871189) is 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone is Cc1ccc(CC(=O)c2ccc3c(c2)CCN3)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone?
The InChIKey is JXEROKXEXMVFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-11-2-3-12(15(18)8-11)10-17(20)14-4-5-16-13(9-14)6-7-19-16/h2-5,8-9,19H,6-7,10H2,1H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone?
2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone has a molecular weight of 285.77 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone is sourced from PubChem (CID 106871189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).