(2-bromo-5-methylphenyl)-(1-methylindol-3-yl)methanone

C17H14BrNO — CID 81111128

IUPAC(2-bromo-5-methylphenyl)-(1-methylindol-3-yl)methanone
SMILESCc1ccc(Br)c(C(=O)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C17H14BrNO/c1-11-7-8-15(18)13(9-11)17(20)14-10-19(2)16-6-4-3-5-12(14)16/h3-10H,1-2H3
InChIKeyTZAWXFGTZVHWOI-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.48
Rot. Bonds2

About (2-bromo-5-methylphenyl)-(1-methylindol-3-yl)methanone

(2-bromo-5-methylphenyl)-(1-methylindol-3-yl)methanone (PubChem CID 81111128) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(1-methylindol-3-yl)methanone
PubChem CID81111128
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name(2-bromo-5-methylphenyl)-(1-methylindol-3-yl)methanone
SMILESCc1ccc(Br)c(C(=O)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C17H14BrNO/c1-11-7-8-15(18)13(9-11)17(20)14-10-19(2)16-6-4-3-5-12(14)16/h3-10H,1-2H3
InChIKeyTZAWXFGTZVHWOI-UHFFFAOYSA-N
XLogP4.48
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-amino-2-bromophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547115
(3-bromo-2-methylphenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547071
(1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone
CID 23544603
(2-methylfuran-3-yl)-(1-methylindol-3-yl)methanone
CID 43463456
(5-bromothiophen-3-yl)-(1-methylindol-3-yl)methanone
CID 107959895
(4-bromo-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116546991
1-methylindole-3-carbothioic S-acid
CID 116918837
(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963931
(1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857099
(1-methylindol-3-yl)-(3-methyl-4-nitrophenyl)methanone
CID 163878841
furan-3-yl-(1-methylindol-3-yl)methanone
CID 43463454
CID 87065455
CID 87065455

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(1-methylindol-3-yl)methanone?
The IUPAC name of (2-bromo-5-methylphenyl)-(1-methylindol-3-yl)methanone (CID 81111128) is (2-bromo-5-methylphenyl)-(1-methylindol-3-yl)methanone.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(1-methylindol-3-yl)methanone?
The canonical SMILES for (2-bromo-5-methylphenyl)-(1-methylindol-3-yl)methanone is Cc1ccc(Br)c(C(=O)c2cn(C)c3ccccc23)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-(1-methylindol-3-yl)methanone?
The InChIKey is TZAWXFGTZVHWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO/c1-11-7-8-15(18)13(9-11)17(20)14-10-19(2)16-6-4-3-5-12(14)16/h3-10H,1-2H3.
What are the key properties of (2-bromo-5-methylphenyl)-(1-methylindol-3-yl)methanone?
(2-bromo-5-methylphenyl)-(1-methylindol-3-yl)methanone has a molecular weight of 328.21 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 81111128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).