(2,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methanone

C16H11Cl2NO — CID 43339192

IUPAC(2,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl2NO/c1-9-15(12-4-2-3-5-14(12)19-9)16(20)11-7-6-10(17)8-13(11)18/h2-8,19H,1H3
InChIKeyACPFFCDMQUSAGV-UHFFFAOYSA-N
MW304.18 g/mol
LogP5.01
Rot. Bonds2

About (2,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methanone

(2,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methanone (PubChem CID 43339192) has the molecular formula C16H11Cl2NO and a molecular weight of 304.18 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methanone
PubChem CID43339192
Molecular FormulaC16H11Cl2NO
Molecular Weight304.18 g/mol
Exact Mass303.02
IUPAC Name(2,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl2NO/c1-9-15(12-4-2-3-5-14(12)19-9)16(20)11-7-6-10(17)8-13(11)18/h2-8,19H,1H3
InChIKeyACPFFCDMQUSAGV-UHFFFAOYSA-N
XLogP5.01
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.18
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 43339219
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7862850
(2-methyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339223
(2,4-dibromophenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 107949694
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 7865660
anthracen-1-yl-(2-methyl-1H-indol-3-yl)methanone
CID 10065533
2-(3-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 62505096
[3-amino-1-(2,4-dichlorophenyl)-1H-benzo[f]chromen-2-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 70695085
CID 170645728
CID 170645728
(2S)-2-chloro-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 2405282
(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 2112150
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 12758173

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methanone (CID 43339192) is (2,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methanone is Cc1[nH]c2ccccc2c1C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methanone?
The InChIKey is ACPFFCDMQUSAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO/c1-9-15(12-4-2-3-5-14(12)19-9)16(20)11-7-6-10(17)8-13(11)18/h2-8,19H,1H3.
What are the key properties of (2,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methanone?
(2,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methanone has a molecular weight of 304.18 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 43339192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).