(5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone

C16H11Br2NO2 — CID 115368763

IUPAC(5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone
SMILESCOc1cc(Br)ccc1C(=O)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C16H11Br2NO2/c1-21-15-7-10(18)2-4-11(15)16(20)13-8-19-14-5-3-9(17)6-12(13)14/h2-8,19H,1H3
InChIKeyNSKHIPBPBAPPHN-UHFFFAOYSA-N
MW409.08 g/mol
LogP4.93
Rot. Bonds3

About (5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone

(5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone (PubChem CID 115368763) has the molecular formula C16H11Br2NO2 and a molecular weight of 409.08 g/mol. Its IUPAC name is (5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone
PubChem CID115368763
Molecular FormulaC16H11Br2NO2
Molecular Weight409.08 g/mol
Exact Mass406.92
IUPAC Name(5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone
SMILESCOc1cc(Br)ccc1C(=O)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C16H11Br2NO2/c1-21-15-7-10(18)2-4-11(15)16(20)13-8-19-14-5-3-9(17)6-12(13)14/h2-8,19H,1H3
InChIKeyNSKHIPBPBAPPHN-UHFFFAOYSA-N
XLogP4.93
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.08
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
(5-bromo-1H-indol-3-yl)-(3-methoxyphenyl)methanone
CID 43162092
(5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)methanone
CID 107949887
2-(5-bromo-1H-indole-3-carbonyl)benzoic acid
CID 43329854
(5-bromo-1H-indol-3-yl)-(4-methylthiophen-3-yl)methanone
CID 79802966
(5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514797
5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
CID 22934720
5-bromo-N-methyl-1H-indole-3-carboxamide
CID 142746507
1-(5-bromo-1H-indol-3-yl)prop-2-en-1-one
CID 103522496
(5-bromo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methanone
CID 43340394
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797925
(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340488

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone?
The IUPAC name of (5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone (CID 115368763) is (5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone.
What is the SMILES notation for (5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone?
The canonical SMILES for (5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone is COc1cc(Br)ccc1C(=O)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of (5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone?
The InChIKey is NSKHIPBPBAPPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2NO2/c1-21-15-7-10(18)2-4-11(15)16(20)13-8-19-14-5-3-9(17)6-12(13)14/h2-8,19H,1H3.
What are the key properties of (5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone?
(5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone has a molecular weight of 409.08 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone is sourced from PubChem (CID 115368763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).