1-(3-bromophenyl)-2-(4,6-dichloroindol-1-yl)ethanone

C16H10BrCl2NO — CID 103427977

IUPAC1-(3-bromophenyl)-2-(4,6-dichloroindol-1-yl)ethanone
SMILESO=C(Cn1ccc2c(Cl)cc(Cl)cc21)c1cccc(Br)c1
InChIInChI=1S/C16H10BrCl2NO/c17-11-3-1-2-10(6-11)16(21)9-20-5-4-13-14(19)7-12(18)8-15(13)20/h1-8H,9H2
InChIKeyNAWRAVIKWUFGCN-UHFFFAOYSA-N
MW383.07 g/mol
LogP5.59
Rot. Bonds3

About 1-(3-bromophenyl)-2-(4,6-dichloroindol-1-yl)ethanone

1-(3-bromophenyl)-2-(4,6-dichloroindol-1-yl)ethanone (PubChem CID 103427977) has the molecular formula C16H10BrCl2NO and a molecular weight of 383.07 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(4,6-dichloroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(4,6-dichloroindol-1-yl)ethanone
PubChem CID103427977
Molecular FormulaC16H10BrCl2NO
Molecular Weight383.07 g/mol
Exact Mass380.93
IUPAC Name1-(3-bromophenyl)-2-(4,6-dichloroindol-1-yl)ethanone
SMILESO=C(Cn1ccc2c(Cl)cc(Cl)cc21)c1cccc(Br)c1
InChIInChI=1S/C16H10BrCl2NO/c17-11-3-1-2-10(6-11)16(21)9-20-5-4-13-14(19)7-12(18)8-15(13)20/h1-8H,9H2
InChIKeyNAWRAVIKWUFGCN-UHFFFAOYSA-N
XLogP5.59
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.07
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-(4-methoxyindol-1-yl)ethanone
CID 83164594
2-(4,6-dichloroindol-1-yl)-1-(2-fluorophenyl)ethanone
CID 103427998
2-(4,6-dichloroindol-1-yl)-N,N-dimethylacetamide
CID 103428458
2-(4,6-dichloroindol-1-yl)-N-ethyl-N-methylacetamide
CID 103428284
1-(3-chlorophenyl)-2-(4-fluoroindol-1-yl)ethanone
CID 82791619
4,6-dichloro-1-[(2,6-dichlorophenyl)methyl]indole
CID 103428456
2-(4-bromoindol-1-yl)-1-(3,4-difluorophenyl)ethanone
CID 115351663
1-(3-bromophenyl)butan-1-one
CID 18417701
1-(3-chlorophenyl)-2-(5-methylindol-1-yl)ethanone
CID 63554610
1-(3-bromophenyl)-4-(2-chlorophenyl)butane-1,4-dione
CID 90363452
4,6-dichloro-1-[(4-ethylphenyl)methyl]indole
CID 103428167
1-(3-bromophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 55049854

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(4,6-dichloroindol-1-yl)ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-(4,6-dichloroindol-1-yl)ethanone (CID 103427977) is 1-(3-bromophenyl)-2-(4,6-dichloroindol-1-yl)ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-(4,6-dichloroindol-1-yl)ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-(4,6-dichloroindol-1-yl)ethanone is O=C(Cn1ccc2c(Cl)cc(Cl)cc21)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(4,6-dichloroindol-1-yl)ethanone?
The InChIKey is NAWRAVIKWUFGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrCl2NO/c17-11-3-1-2-10(6-11)16(21)9-20-5-4-13-14(19)7-12(18)8-15(13)20/h1-8H,9H2.
What are the key properties of 1-(3-bromophenyl)-2-(4,6-dichloroindol-1-yl)ethanone?
1-(3-bromophenyl)-2-(4,6-dichloroindol-1-yl)ethanone has a molecular weight of 383.07 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(4,6-dichloroindol-1-yl)ethanone is sourced from PubChem (CID 103427977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).