(6-bromo-1H-indol-3-yl)-(3-chloro-2-methylphenyl)methanone

C16H11BrClNO — CID 107096167

IUPAC(6-bromo-1H-indol-3-yl)-(3-chloro-2-methylphenyl)methanone
SMILESCc1c(Cl)cccc1C(=O)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C16H11BrClNO/c1-9-11(3-2-4-14(9)18)16(20)13-8-19-15-7-10(17)5-6-12(13)15/h2-8,19H,1H3
InChIKeyQADBMIHXMYNEOR-UHFFFAOYSA-N
MW348.63 g/mol
LogP5.12
Rot. Bonds2

About (6-bromo-1H-indol-3-yl)-(3-chloro-2-methylphenyl)methanone

(6-bromo-1H-indol-3-yl)-(3-chloro-2-methylphenyl)methanone (PubChem CID 107096167) has the molecular formula C16H11BrClNO and a molecular weight of 348.63 g/mol. Its IUPAC name is (6-bromo-1H-indol-3-yl)-(3-chloro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(6-bromo-1H-indol-3-yl)-(3-chloro-2-methylphenyl)methanone
PubChem CID107096167
Molecular FormulaC16H11BrClNO
Molecular Weight348.63 g/mol
Exact Mass346.97
IUPAC Name(6-bromo-1H-indol-3-yl)-(3-chloro-2-methylphenyl)methanone
SMILESCc1c(Cl)cccc1C(=O)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C16H11BrClNO/c1-9-11(3-2-4-14(9)18)16(20)13-8-19-15-7-10(17)5-6-12(13)15/h2-8,19H,1H3
InChIKeyQADBMIHXMYNEOR-UHFFFAOYSA-N
XLogP5.12
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.63
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone
CID 81265814
(6-bromo-1H-indol-3-yl)-(2-bromo-3-methylphenyl)methanone
CID 107981685
(6-bromo-1H-indol-3-yl)-(2-bromophenyl)methanone
CID 55194674
(2-amino-5-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 25257909
(2-amino-5-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
CID 65455500
(2-bromo-3-methylphenyl)-(6-chloro-1H-indol-3-yl)methanone
CID 107981663
(5-bromo-2-chlorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43378890
(3-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 146005798
(2,3-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43342049
(2-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 107981662
(3-chloro-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 81266663
(6-bromo-1H-indol-3-yl)-(3-methylfuran-2-yl)methanone
CID 62046005

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1H-indol-3-yl)-(3-chloro-2-methylphenyl)methanone?
The IUPAC name of (6-bromo-1H-indol-3-yl)-(3-chloro-2-methylphenyl)methanone (CID 107096167) is (6-bromo-1H-indol-3-yl)-(3-chloro-2-methylphenyl)methanone.
What is the SMILES notation for (6-bromo-1H-indol-3-yl)-(3-chloro-2-methylphenyl)methanone?
The canonical SMILES for (6-bromo-1H-indol-3-yl)-(3-chloro-2-methylphenyl)methanone is Cc1c(Cl)cccc1C(=O)c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of (6-bromo-1H-indol-3-yl)-(3-chloro-2-methylphenyl)methanone?
The InChIKey is QADBMIHXMYNEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO/c1-9-11(3-2-4-14(9)18)16(20)13-8-19-15-7-10(17)5-6-12(13)15/h2-8,19H,1H3.
What are the key properties of (6-bromo-1H-indol-3-yl)-(3-chloro-2-methylphenyl)methanone?
(6-bromo-1H-indol-3-yl)-(3-chloro-2-methylphenyl)methanone has a molecular weight of 348.63 g/mol, XLogP of 5.12, 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-chloro-2-methylphenyl)methanone is sourced from PubChem (CID 107096167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).