(4-bromo-1H-indol-3-yl)-[1-(2-methylpropyl)cyclopentyl]methanone

C18H22BrNO — CID 115351549

IUPAC(4-bromo-1H-indol-3-yl)-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCC(C)CC1(C(=O)c2c[nH]c3cccc(Br)c23)CCCC1
InChIInChI=1S/C18H22BrNO/c1-12(2)10-18(8-3-4-9-18)17(21)13-11-20-15-7-5-6-14(19)16(13)15/h5-7,11-12,20H,3-4,8-10H2,1-2H3
InChIKeyMDBQXANGPTVIEA-UHFFFAOYSA-N
MW348.28 g/mol
LogP5.72
Rot. Bonds4

About (4-bromo-1H-indol-3-yl)-[1-(2-methylpropyl)cyclopentyl]methanone

(4-bromo-1H-indol-3-yl)-[1-(2-methylpropyl)cyclopentyl]methanone (PubChem CID 115351549) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is (4-bromo-1H-indol-3-yl)-[1-(2-methylpropyl)cyclopentyl]methanone.

Molecular Properties

Compound Name(4-bromo-1H-indol-3-yl)-[1-(2-methylpropyl)cyclopentyl]methanone
PubChem CID115351549
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name(4-bromo-1H-indol-3-yl)-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCC(C)CC1(C(=O)c2c[nH]c3cccc(Br)c23)CCCC1
InChIInChI=1S/C18H22BrNO/c1-12(2)10-18(8-3-4-9-18)17(21)13-11-20-15-7-5-6-14(19)16(13)15/h5-7,11-12,20H,3-4,8-10H2,1-2H3
InChIKeyMDBQXANGPTVIEA-UHFFFAOYSA-N
XLogP5.72
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.28
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 115351529
2-bromo-1-(4-bromo-1H-indol-3-yl)propan-1-one
CID 115351483
(4-ethoxy-1H-indol-3-yl)-(1-ethylcyclopentyl)methanone
CID 83164060
2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone
CID 115351482
(3-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114962620
(4-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone
CID 113292183
3-(1-methylcyclopentanecarbonyl)-1H-indole-4-carbonitrile
CID 107918637
2-(4-bromo-1H-indole-3-carbonyl)benzoic acid
CID 115351658
(4-bromo-1H-indol-3-yl)-(2-bromo-5-methylphenyl)methanone
CID 115351639
(4-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114970746
(4-bromo-1H-indol-3-yl)-piperidin-3-ylmethanone
CID 115351659
(3E)-4-bromo-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 137028255

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-indol-3-yl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The IUPAC name of (4-bromo-1H-indol-3-yl)-[1-(2-methylpropyl)cyclopentyl]methanone (CID 115351549) is (4-bromo-1H-indol-3-yl)-[1-(2-methylpropyl)cyclopentyl]methanone.
What is the SMILES notation for (4-bromo-1H-indol-3-yl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The canonical SMILES for (4-bromo-1H-indol-3-yl)-[1-(2-methylpropyl)cyclopentyl]methanone is CC(C)CC1(C(=O)c2c[nH]c3cccc(Br)c23)CCCC1.
What is the InChIKey of (4-bromo-1H-indol-3-yl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The InChIKey is MDBQXANGPTVIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-12(2)10-18(8-3-4-9-18)17(21)13-11-20-15-7-5-6-14(19)16(13)15/h5-7,11-12,20H,3-4,8-10H2,1-2H3.
What are the key properties of (4-bromo-1H-indol-3-yl)-[1-(2-methylpropyl)cyclopentyl]methanone?
(4-bromo-1H-indol-3-yl)-[1-(2-methylpropyl)cyclopentyl]methanone has a molecular weight of 348.28 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-indol-3-yl)-[1-(2-methylpropyl)cyclopentyl]methanone is sourced from PubChem (CID 115351549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).