2-chloro-1-(6-methyl-1H-indol-3-yl)-2-phenylethanone

C17H14ClNO — CID 90302343

IUPAC2-chloro-1-(6-methyl-1H-indol-3-yl)-2-phenylethanone
SMILESCc1ccc2c(C(=O)C(Cl)c3ccccc3)c[nH]c2c1
InChIInChI=1S/C17H14ClNO/c1-11-7-8-13-14(10-19-15(13)9-11)17(20)16(18)12-5-3-2-4-6-12/h2-10,16,19H,1H3
InChIKeyJOYJDVJFGYAVOT-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.64
Rot. Bonds3

About 2-chloro-1-(6-methyl-1H-indol-3-yl)-2-phenylethanone

2-chloro-1-(6-methyl-1H-indol-3-yl)-2-phenylethanone (PubChem CID 90302343) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-chloro-1-(6-methyl-1H-indol-3-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-chloro-1-(6-methyl-1H-indol-3-yl)-2-phenylethanone
PubChem CID90302343
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name2-chloro-1-(6-methyl-1H-indol-3-yl)-2-phenylethanone
SMILESCc1ccc2c(C(=O)C(Cl)c3ccccc3)c[nH]c2c1
InChIInChI=1S/C17H14ClNO/c1-11-7-8-13-14(10-19-15(13)9-11)17(20)16(18)12-5-3-2-4-6-12/h2-10,16,19H,1H3
InChIKeyJOYJDVJFGYAVOT-UHFFFAOYSA-N
XLogP4.64
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-(6-methyl-1H-indol-3-yl)propan-1-one
CID 43163342
1-(6-methyl-1H-indol-3-yl)-2-phenylsulfanylethanone
CID 913288
(2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 65453793
4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 139422932
1-(6-methyl-1H-indol-3-yl)-2-(2-methylphenyl)ethanone
CID 43341943
2-(2-methoxyphenyl)-1-(6-methyl-1H-indol-3-yl)ethanone
CID 43163430
(6-methyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 24823778
(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 158771521
ethyl 2-(6-methyl-1H-indol-3-yl)-2-oxoacetate
CID 55017679
N-[(2R)-2-hydroxypropyl]-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide
CID 160969332
2-hydroxy-2-(6-methyl-1H-indol-3-yl)acetic acid
CID 131561654
(2-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 107981662

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(6-methyl-1H-indol-3-yl)-2-phenylethanone?
The IUPAC name of 2-chloro-1-(6-methyl-1H-indol-3-yl)-2-phenylethanone (CID 90302343) is 2-chloro-1-(6-methyl-1H-indol-3-yl)-2-phenylethanone.
What is the SMILES notation for 2-chloro-1-(6-methyl-1H-indol-3-yl)-2-phenylethanone?
The canonical SMILES for 2-chloro-1-(6-methyl-1H-indol-3-yl)-2-phenylethanone is Cc1ccc2c(C(=O)C(Cl)c3ccccc3)c[nH]c2c1.
What is the InChIKey of 2-chloro-1-(6-methyl-1H-indol-3-yl)-2-phenylethanone?
The InChIKey is JOYJDVJFGYAVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-11-7-8-13-14(10-19-15(13)9-11)17(20)16(18)12-5-3-2-4-6-12/h2-10,16,19H,1H3.
What are the key properties of 2-chloro-1-(6-methyl-1H-indol-3-yl)-2-phenylethanone?
2-chloro-1-(6-methyl-1H-indol-3-yl)-2-phenylethanone has a molecular weight of 283.76 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(6-methyl-1H-indol-3-yl)-2-phenylethanone is sourced from PubChem (CID 90302343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).