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

C16H11BrClNO — CID 107981663

IUPAC(2-bromo-3-methylphenyl)-(6-chloro-1H-indol-3-yl)methanone
SMILESCc1cccc(C(=O)c2c[nH]c3cc(Cl)ccc23)c1Br
InChIInChI=1S/C16H11BrClNO/c1-9-3-2-4-12(15(9)17)16(20)13-8-19-14-7-10(18)5-6-11(13)14/h2-8,19H,1H3
InChIKeyAEYFKZBAUZSACB-UHFFFAOYSA-N
MW348.63 g/mol
LogP5.12
Rot. Bonds2

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

(2-bromo-3-methylphenyl)-(6-chloro-1H-indol-3-yl)methanone (PubChem CID 107981663) has the molecular formula C16H11BrClNO and a molecular weight of 348.63 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(6-chloro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(6-chloro-1H-indol-3-yl)methanone
PubChem CID107981663
Molecular FormulaC16H11BrClNO
Molecular Weight348.63 g/mol
Exact Mass346.97
IUPAC Name(2-bromo-3-methylphenyl)-(6-chloro-1H-indol-3-yl)methanone
SMILESCc1cccc(C(=O)c2c[nH]c3cc(Cl)ccc23)c1Br
InChIInChI=1S/C16H11BrClNO/c1-9-3-2-4-12(15(9)17)16(20)13-8-19-14-7-10(18)5-6-11(13)14/h2-8,19H,1H3
InChIKeyAEYFKZBAUZSACB-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)-(2-bromo-3-methylphenyl)methanone
CID 107981685
(2-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 107981662
(6-bromo-1H-indol-3-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096167
(6-chloro-1H-indol-3-yl)-(4-chlorophenyl)methanone
CID 43163471
(3-bromo-5-chlorophenyl)-(6-chloro-1H-indol-3-yl)methanone
CID 107949781
(2,3-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43342049
(2-bromophenyl)-(5-chloro-1H-indol-3-yl)methanone
CID 55257460
6-chloro-1H-indole-3-carboxamide
CID 130666489
CID 170645729
CID 170645729
(6-chloro-1H-indol-3-yl)-(furan-2-yl)methanone
CID 43463725
(6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone
CID 81265814
N-(4-bromo-2-methylphenyl)-6-chloro-1H-indole-3-carboxamide
CID 113206476

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(6-chloro-1H-indol-3-yl)methanone?
The IUPAC name of (2-bromo-3-methylphenyl)-(6-chloro-1H-indol-3-yl)methanone (CID 107981663) is (2-bromo-3-methylphenyl)-(6-chloro-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(6-chloro-1H-indol-3-yl)methanone?
The canonical SMILES for (2-bromo-3-methylphenyl)-(6-chloro-1H-indol-3-yl)methanone is Cc1cccc(C(=O)c2c[nH]c3cc(Cl)ccc23)c1Br.
What is the InChIKey of (2-bromo-3-methylphenyl)-(6-chloro-1H-indol-3-yl)methanone?
The InChIKey is AEYFKZBAUZSACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO/c1-9-3-2-4-12(15(9)17)16(20)13-8-19-14-7-10(18)5-6-11(13)14/h2-8,19H,1H3.
What are the key properties of (2-bromo-3-methylphenyl)-(6-chloro-1H-indol-3-yl)methanone?
(2-bromo-3-methylphenyl)-(6-chloro-1H-indol-3-yl)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 (2-bromo-3-methylphenyl)-(6-chloro-1H-indol-3-yl)methanone is sourced from PubChem (CID 107981663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).