1-(5-bromo-1-methylindol-2-yl)-3-phenylpropan-1-one

C18H16BrNO — CID 155205410

IUPAC1-(5-bromo-1-methylindol-2-yl)-3-phenylpropan-1-one
SMILESCn1c(C(=O)CCc2ccccc2)cc2cc(Br)ccc21
InChIInChI=1S/C18H16BrNO/c1-20-16-9-8-15(19)11-14(16)12-17(20)18(21)10-7-13-5-3-2-4-6-13/h2-6,8-9,11-12H,7,10H2,1H3
InChIKeyAJQRPJRHVZYOEJ-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.76
Rot. Bonds4

About 1-(5-bromo-1-methylindol-2-yl)-3-phenylpropan-1-one

1-(5-bromo-1-methylindol-2-yl)-3-phenylpropan-1-one (PubChem CID 155205410) has the molecular formula C18H16BrNO and a molecular weight of 342.24 g/mol. Its IUPAC name is 1-(5-bromo-1-methylindol-2-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(5-bromo-1-methylindol-2-yl)-3-phenylpropan-1-one
PubChem CID155205410
Molecular FormulaC18H16BrNO
Molecular Weight342.24 g/mol
Exact Mass341.04
IUPAC Name1-(5-bromo-1-methylindol-2-yl)-3-phenylpropan-1-one
SMILESCn1c(C(=O)CCc2ccccc2)cc2cc(Br)ccc21
InChIInChI=1S/C18H16BrNO/c1-20-16-9-8-15(19)11-14(16)12-17(20)18(21)10-7-13-5-3-2-4-6-13/h2-6,8-9,11-12H,7,10H2,1H3
InChIKeyAJQRPJRHVZYOEJ-UHFFFAOYSA-N
XLogP4.76
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bromonaphthalen-2-yl)-3-phenylpropan-1-one
CID 114962828
1-(4-bromo-2,6-dimethylphenyl)-3-phenylpropan-1-one
CID 146011150
2-(5-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid
CID 115072027
3-(5-bromo-1-methylindol-2-yl)-2,2-dimethylpropanoic acid
CID 117195254
3-(5-bromo-1-methylindol-2-yl)-2-methylpropanoic acid
CID 117121644
N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide
CID 43984804
1-[1-[(E)-but-2-enyl]-4,5-dimethylpyrrol-2-yl]-3-phenylpropan-1-one
CID 18785712
2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid
CID 84646109
(5-bromo-2-methylindol-1-yl)-phenylmethanone
CID 67901223
1-(2,5-dibromophenyl)-4-phenylbutan-1-one
CID 114969935
2-(2-hydroxyacetyl)-1-methylindole-5-carbaldehyde
CID 82614269
1-(6-bromonaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103023893

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-methylindol-2-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(5-bromo-1-methylindol-2-yl)-3-phenylpropan-1-one (CID 155205410) is 1-(5-bromo-1-methylindol-2-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(5-bromo-1-methylindol-2-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(5-bromo-1-methylindol-2-yl)-3-phenylpropan-1-one is Cn1c(C(=O)CCc2ccccc2)cc2cc(Br)ccc21.
What is the InChIKey of 1-(5-bromo-1-methylindol-2-yl)-3-phenylpropan-1-one?
The InChIKey is AJQRPJRHVZYOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO/c1-20-16-9-8-15(19)11-14(16)12-17(20)18(21)10-7-13-5-3-2-4-6-13/h2-6,8-9,11-12H,7,10H2,1H3.
What are the key properties of 1-(5-bromo-1-methylindol-2-yl)-3-phenylpropan-1-one?
1-(5-bromo-1-methylindol-2-yl)-3-phenylpropan-1-one has a molecular weight of 342.24 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-methylindol-2-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 155205410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).