2-(3-bromophenyl)-1-(6-chloro-1-methylindol-3-yl)ethanone

C17H13BrClNO — CID 116651087

IUPAC2-(3-bromophenyl)-1-(6-chloro-1-methylindol-3-yl)ethanone
SMILESCn1cc(C(=O)Cc2cccc(Br)c2)c2ccc(Cl)cc21
InChIInChI=1S/C17H13BrClNO/c1-20-10-15(14-6-5-13(19)9-16(14)20)17(21)8-11-3-2-4-12(18)7-11/h2-7,9-10H,8H2,1H3
InChIKeyXLPBQNBBFATRTD-UHFFFAOYSA-N
MW362.65 g/mol
LogP5.02
Rot. Bonds3

About 2-(3-bromophenyl)-1-(6-chloro-1-methylindol-3-yl)ethanone

2-(3-bromophenyl)-1-(6-chloro-1-methylindol-3-yl)ethanone (PubChem CID 116651087) has the molecular formula C17H13BrClNO and a molecular weight of 362.65 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(6-chloro-1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(6-chloro-1-methylindol-3-yl)ethanone
PubChem CID116651087
Molecular FormulaC17H13BrClNO
Molecular Weight362.65 g/mol
Exact Mass360.99
IUPAC Name2-(3-bromophenyl)-1-(6-chloro-1-methylindol-3-yl)ethanone
SMILESCn1cc(C(=O)Cc2cccc(Br)c2)c2ccc(Cl)cc21
InChIInChI=1S/C17H13BrClNO/c1-20-10-15(14-6-5-13(19)9-16(14)20)17(21)8-11-3-2-4-12(18)7-11/h2-7,9-10H,8H2,1H3
InChIKeyXLPBQNBBFATRTD-UHFFFAOYSA-N
XLogP5.02
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-chloro-1-methylindol-3-yl)-2-(3-methylphenyl)ethanone
CID 116651006
(6-chloro-1-methylindol-3-yl)-(2,6-dichlorophenyl)methanone
CID 116651038
2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone
CID 63490619
(6-chloro-1-methylindol-3-yl)-(2-ethylphenyl)methanone
CID 116651047
2-(3-fluorophenyl)-1-(1-methylindol-3-yl)ethanone
CID 43340234
1-(6-chloro-1-methylindol-3-yl)-3,4,4-trimethylpentan-1-one
CID 116650978
2-(3-methoxyphenyl)-1-(1-methylindol-3-yl)ethanone
CID 43340241
2-amino-1-(6-chloro-1-methylindol-3-yl)-3-hydroxypropan-1-one
CID 162765497
2-(3-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanone
CID 81323258
(6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone
CID 116650948
1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 103039318
2-(3-bromophenyl)-1-(5-chlorofuran-2-yl)ethanone
CID 106687687

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(6-chloro-1-methylindol-3-yl)ethanone?
The IUPAC name of 2-(3-bromophenyl)-1-(6-chloro-1-methylindol-3-yl)ethanone (CID 116651087) is 2-(3-bromophenyl)-1-(6-chloro-1-methylindol-3-yl)ethanone.
What is the SMILES notation for 2-(3-bromophenyl)-1-(6-chloro-1-methylindol-3-yl)ethanone?
The canonical SMILES for 2-(3-bromophenyl)-1-(6-chloro-1-methylindol-3-yl)ethanone is Cn1cc(C(=O)Cc2cccc(Br)c2)c2ccc(Cl)cc21.
What is the InChIKey of 2-(3-bromophenyl)-1-(6-chloro-1-methylindol-3-yl)ethanone?
The InChIKey is XLPBQNBBFATRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClNO/c1-20-10-15(14-6-5-13(19)9-16(14)20)17(21)8-11-3-2-4-12(18)7-11/h2-7,9-10H,8H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(6-chloro-1-methylindol-3-yl)ethanone?
2-(3-bromophenyl)-1-(6-chloro-1-methylindol-3-yl)ethanone has a molecular weight of 362.65 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(6-chloro-1-methylindol-3-yl)ethanone is sourced from PubChem (CID 116651087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).