(6-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone

C15H8BrCl2NO — CID 63492703

IUPAC(6-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C15H8BrCl2NO/c16-9-2-3-10-11(7-19-14(10)6-9)15(20)8-1-4-12(17)13(18)5-8/h1-7,19H
InChIKeyDBIKKJMAHRFWLT-UHFFFAOYSA-N
MW369.05 g/mol
LogP5.47
Rot. Bonds2

About (6-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone

(6-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone (PubChem CID 63492703) has the molecular formula C15H8BrCl2NO and a molecular weight of 369.05 g/mol. Its IUPAC name is (6-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name(6-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone
PubChem CID63492703
Molecular FormulaC15H8BrCl2NO
Molecular Weight369.05 g/mol
Exact Mass366.92
IUPAC Name(6-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C15H8BrCl2NO/c16-9-2-3-10-11(7-19-14(10)6-9)15(20)8-1-4-12(17)13(18)5-8/h1-7,19H
InChIKeyDBIKKJMAHRFWLT-UHFFFAOYSA-N
XLogP5.47
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.05
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-Bromoindole-3-carbaldehyde
CID 2794830
6-bromo-1H-indole-3-carboxamide
CID 57035201
6-Bromo-1-[(4-chlorophenyl)methyl]indole-3-carbaldehyde
CID 52952675
2-(4-bromophenyl)sulfanyl-1-(5-chloro-1H-indol-3-yl)ethanone
CID 127032845
(2E)-1-(4-bromophenyl)-3-(1H-indol-3-yl)prop-2-en-1-one
CID 5760730
2-(3-acetyl-6-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide
CID 130299673
1-(6-chloro-1H-indol-3-yl)ethan-1-one
CID 22627172
1-(4-bromo-1H-indol-3-yl)ethan-1-one
CID 10752385
1-(6-bromo-1H-indol-3-yl)ethan-1-one
CID 23245462
2-(4-bromophenyl)sulfanyl-1-(6-chloro-1H-indol-3-yl)ethanone
CID 127030109
3,4-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 4879936
(E)-1-(4-chlorophenyl)-3-(1H-indol-3-yl)prop-2-en-1-one
CID 5348747

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone?
The IUPAC name of (6-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone (CID 63492703) is (6-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for (6-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone?
The canonical SMILES for (6-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)c(Cl)c1)c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of (6-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone?
The InChIKey is DBIKKJMAHRFWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrCl2NO/c16-9-2-3-10-11(7-19-14(10)6-9)15(20)8-1-4-12(17)13(18)5-8/h1-7,19H.
What are the key properties of (6-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone?
(6-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone has a molecular weight of 369.05 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 63492703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).