(3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone

C17H14BrNO — CID 81472357

IUPAC(3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc(C(=O)c2c[nH]c3cccc(C)c23)cc1Br
InChIInChI=1S/C17H14BrNO/c1-10-6-7-12(8-14(10)18)17(20)13-9-19-15-5-3-4-11(2)16(13)15/h3-9,19H,1-2H3
InChIKeyWKCUUBNXECVYRZ-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.78
Rot. Bonds2

About (3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone

(3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone (PubChem CID 81472357) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone
PubChem CID81472357
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name(3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc(C(=O)c2c[nH]c3cccc(C)c23)cc1Br
InChIInChI=1S/C17H14BrNO/c1-10-6-7-12(8-14(10)18)17(20)13-9-19-15-5-3-4-11(2)16(13)15/h3-9,19H,1-2H3
InChIKeyWKCUUBNXECVYRZ-UHFFFAOYSA-N
XLogP4.78
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-methyl-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 43341896
(2,4-dibromophenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 107949775
(3-bromo-4-chlorophenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 107998363
(3-bromo-4-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 81472433
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone
CID 112694096
(3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone
CID 63796678
3-(3-amino-4-methylbenzoyl)-1H-indole-4-carbonitrile
CID 107919650
(3-bromo-4-methylphenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512647
1-(4-methyl-1H-indol-3-yl)-2-phenylethane-1,2-dione
CID 135028802
(3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 107998441
methyl 3-(3-fluoro-4-methylbenzoyl)-1H-indole-4-carboxylate
CID 18993213
(4-bromo-1H-indol-3-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115351557

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone (CID 81472357) is (3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone is Cc1ccc(C(=O)c2c[nH]c3cccc(C)c23)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone?
The InChIKey is WKCUUBNXECVYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO/c1-10-6-7-12(8-14(10)18)17(20)13-9-19-15-5-3-4-11(2)16(13)15/h3-9,19H,1-2H3.
What are the key properties of (3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone?
(3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone has a molecular weight of 328.21 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 81472357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).