(3-bromo-4-methoxyphenyl)-(7-chloro-1H-indol-3-yl)methanone

C16H11BrClNO2 — CID 103474352

IUPAC(3-bromo-4-methoxyphenyl)-(7-chloro-1H-indol-3-yl)methanone
SMILESCOc1ccc(C(=O)c2c[nH]c3c(Cl)cccc23)cc1Br
InChIInChI=1S/C16H11BrClNO2/c1-21-14-6-5-9(7-12(14)17)16(20)11-8-19-15-10(11)3-2-4-13(15)18/h2-8,19H,1H3
InChIKeyGWDZIUYYVPYFFE-UHFFFAOYSA-N
MW364.63 g/mol
LogP4.82
Rot. Bonds3

About (3-bromo-4-methoxyphenyl)-(7-chloro-1H-indol-3-yl)methanone

(3-bromo-4-methoxyphenyl)-(7-chloro-1H-indol-3-yl)methanone (PubChem CID 103474352) has the molecular formula C16H11BrClNO2 and a molecular weight of 364.63 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(7-chloro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(7-chloro-1H-indol-3-yl)methanone
PubChem CID103474352
Molecular FormulaC16H11BrClNO2
Molecular Weight364.63 g/mol
Exact Mass362.97
IUPAC Name(3-bromo-4-methoxyphenyl)-(7-chloro-1H-indol-3-yl)methanone
SMILESCOc1ccc(C(=O)c2c[nH]c3c(Cl)cccc23)cc1Br
InChIInChI=1S/C16H11BrClNO2/c1-21-14-6-5-9(7-12(14)17)16(20)11-8-19-15-10(11)3-2-4-13(15)18/h2-8,19H,1H3
InChIKeyGWDZIUYYVPYFFE-UHFFFAOYSA-N
XLogP4.82
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.63
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-amino-4-bromophenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103475637
(7-chloro-1H-indol-3-yl)-(2-methoxyphenyl)methanone
CID 103474392
(3-bromo-4-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626761
(7-chloro-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 103474297
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
(7-chloro-1H-indol-3-yl)-(2-chlorophenyl)methanone
CID 103474468
(3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810874
7-chloro-3-methoxy-1H-indole
CID 119084271
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 55101814
(2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103475626
(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 43339851
(3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81045034

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(7-chloro-1H-indol-3-yl)methanone?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(7-chloro-1H-indol-3-yl)methanone (CID 103474352) is (3-bromo-4-methoxyphenyl)-(7-chloro-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(7-chloro-1H-indol-3-yl)methanone?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(7-chloro-1H-indol-3-yl)methanone is COc1ccc(C(=O)c2c[nH]c3c(Cl)cccc23)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(7-chloro-1H-indol-3-yl)methanone?
The InChIKey is GWDZIUYYVPYFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO2/c1-21-14-6-5-9(7-12(14)17)16(20)11-8-19-15-10(11)3-2-4-13(15)18/h2-8,19H,1H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(7-chloro-1H-indol-3-yl)methanone?
(3-bromo-4-methoxyphenyl)-(7-chloro-1H-indol-3-yl)methanone has a molecular weight of 364.63 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(7-chloro-1H-indol-3-yl)methanone is sourced from PubChem (CID 103474352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).