2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone

C17H13Cl2NO — CID 63490619

IUPAC2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone
SMILESCn1cc(C(=O)Cc2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C17H13Cl2NO/c1-20-10-13(12-4-2-3-5-16(12)20)17(21)9-11-6-7-14(18)15(19)8-11/h2-8,10H,9H2,1H3
InChIKeyMQOISHGADXNOTD-UHFFFAOYSA-N
MW318.20 g/mol
LogP4.91
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone

2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone (PubChem CID 63490619) has the molecular formula C17H13Cl2NO and a molecular weight of 318.20 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone
PubChem CID63490619
Molecular FormulaC17H13Cl2NO
Molecular Weight318.20 g/mol
Exact Mass317.04
IUPAC Name2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone
SMILESCn1cc(C(=O)Cc2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C17H13Cl2NO/c1-20-10-13(12-4-2-3-5-16(12)20)17(21)9-11-6-7-14(18)15(19)8-11/h2-8,10H,9H2,1H3
InChIKeyMQOISHGADXNOTD-UHFFFAOYSA-N
XLogP4.91
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-1-(1-methylindol-3-yl)ethanone
CID 43340234
1-(1-methylindol-3-yl)-2-pyridin-3-ylethanone
CID 86729069
2-(3-methoxyphenyl)-1-(1-methylindol-3-yl)ethanone
CID 43340241
1-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]butan-1-one
CID 3579948
2-(3,4-dichlorophenyl)-1-isoquinolin-4-ylethanone
CID 63940735
2-(3,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone
CID 102802703
1-(6-chloro-1-methylindol-3-yl)-2-(3-methylphenyl)ethanone
CID 116651006
2-(3,4-dichlorophenyl)-1-(1H-indol-3-yl)ethanone
CID 63490590
2-(3,4-dichlorophenyl)-1-quinolin-4-ylethanone
CID 105089800
2-[2-(4-chlorophenyl)ethylamino]-1-(1-methylindol-3-yl)ethanone
CID 110655392
2-(3-bromophenyl)-1-(6-chloro-1-methylindol-3-yl)ethanone
CID 116651087
1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione
CID 153181750

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone (CID 63490619) is 2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone is Cn1cc(C(=O)Cc2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone?
The InChIKey is MQOISHGADXNOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO/c1-20-10-13(12-4-2-3-5-16(12)20)17(21)9-11-6-7-14(18)15(19)8-11/h2-8,10H,9H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone?
2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone has a molecular weight of 318.20 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 63490619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).