(5-bromo-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone

C16H11BrClNO — CID 81324072

IUPAC(5-bromo-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone
SMILESCc1cc(Cl)cc(C(=O)c2c[nH]c3ccc(Br)cc23)c1
InChIInChI=1S/C16H11BrClNO/c1-9-4-10(6-12(18)5-9)16(20)14-8-19-15-3-2-11(17)7-13(14)15/h2-8,19H,1H3
InChIKeyABOGFBJIVCPDHJ-UHFFFAOYSA-N
MW348.63 g/mol
LogP5.12
Rot. Bonds2

About (5-bromo-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone

(5-bromo-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone (PubChem CID 81324072) has the molecular formula C16H11BrClNO and a molecular weight of 348.63 g/mol. Its IUPAC name is (5-bromo-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone
PubChem CID81324072
Molecular FormulaC16H11BrClNO
Molecular Weight348.63 g/mol
Exact Mass346.97
IUPAC Name(5-bromo-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone
SMILESCc1cc(Cl)cc(C(=O)c2c[nH]c3ccc(Br)cc23)c1
InChIInChI=1S/C16H11BrClNO/c1-9-4-10(6-12(18)5-9)16(20)14-8-19-15-3-2-11(17)7-13(14)15/h2-8,19H,1H3
InChIKeyABOGFBJIVCPDHJ-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

3-(3-chloro-5-methylbenzoyl)-1H-indole-5-carbonitrile
CID 107919914
(4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555156
(3-chloro-5-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 81323304
(5-bromo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methanone
CID 43340394
(7-chloro-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 103474297
(5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514797
(5-bromo-1H-indol-3-yl)-(4-chloro-3-fluorophenyl)methanone
CID 107998254
(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430906
(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555318
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
(5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)methanone
CID 107949887
(3-bromo-5-chlorophenyl)-(6-chloro-1H-indol-3-yl)methanone
CID 107949781

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone?
The IUPAC name of (5-bromo-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone (CID 81324072) is (5-bromo-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone.
What is the SMILES notation for (5-bromo-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone?
The canonical SMILES for (5-bromo-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone is Cc1cc(Cl)cc(C(=O)c2c[nH]c3ccc(Br)cc23)c1.
What is the InChIKey of (5-bromo-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone?
The InChIKey is ABOGFBJIVCPDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO/c1-9-4-10(6-12(18)5-9)16(20)14-8-19-15-3-2-11(17)7-13(14)15/h2-8,19H,1H3.
What are the key properties of (5-bromo-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone?
(5-bromo-1H-indol-3-yl)-(3-chloro-5-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 (5-bromo-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone is sourced from PubChem (CID 81324072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).