[5-(2-bromo-4-methylpentyl)-2,3-dihydroindol-1-yl]-(4-butylcyclohexyl)methanone

C25H38BrNO — CID 82259504

IUPAC[5-(2-bromo-4-methylpentyl)-2,3-dihydroindol-1-yl]-(4-butylcyclohexyl)methanone
SMILESCCCCC1CCC(C(=O)N2CCc3cc(CC(Br)CC(C)C)ccc32)CC1
InChIInChI=1S/C25H38BrNO/c1-4-5-6-19-7-10-21(11-8-19)25(28)27-14-13-22-16-20(9-12-24(22)27)17-23(26)15-18(2)3/h9,12,16,18-19,21,23H,4-8,10-11,13-15,17H2,1-3H3
InChIKeyWLWWDKSPTAHFBC-UHFFFAOYSA-N
MW448.49 g/mol
LogP6.92
Rot. Bonds8

About [5-(2-bromo-4-methylpentyl)-2,3-dihydroindol-1-yl]-(4-butylcyclohexyl)methanone

[5-(2-bromo-4-methylpentyl)-2,3-dihydroindol-1-yl]-(4-butylcyclohexyl)methanone (PubChem CID 82259504) has the molecular formula C25H38BrNO and a molecular weight of 448.49 g/mol. Its IUPAC name is [5-(2-bromo-4-methylpentyl)-2,3-dihydroindol-1-yl]-(4-butylcyclohexyl)methanone.

Molecular Properties

Compound Name[5-(2-bromo-4-methylpentyl)-2,3-dihydroindol-1-yl]-(4-butylcyclohexyl)methanone
PubChem CID82259504
Molecular FormulaC25H38BrNO
Molecular Weight448.49 g/mol
Exact Mass447.21
IUPAC Name[5-(2-bromo-4-methylpentyl)-2,3-dihydroindol-1-yl]-(4-butylcyclohexyl)methanone
SMILESCCCCC1CCC(C(=O)N2CCc3cc(CC(Br)CC(C)C)ccc32)CC1
InChIInChI=1S/C25H38BrNO/c1-4-5-6-19-7-10-21(11-8-19)25(28)27-14-13-22-16-20(9-12-24(22)27)17-23(26)15-18(2)3/h9,12,16,18-19,21,23H,4-8,10-11,13-15,17H2,1-3H3
InChIKeyWLWWDKSPTAHFBC-UHFFFAOYSA-N
XLogP6.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze [5-(2-bromo-4-methylpentyl)-2,3-dihydroindol-1-yl]-(4-butylcyclohexyl)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

2-bromo-1-[1-(4-butylcyclohexanecarbonyl)-2,3-dihydroindol-5-yl]-3-methylbutan-1-one
CID 82258873
1-[6-(2-bromo-4-methylpentyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 82259523
[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(4-butylcyclohexyl)methanone
CID 82260079
1-[1-(4-butylcyclohexanecarbonyl)-2,3-dihydroindol-5-yl]-4-chlorobutan-1-one
CID 82259134
[6-(2-aminopentyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82259904
2-bromo-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]butan-1-one
CID 82258730
1-[5-(2-bromobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 82259297
1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]-3-cyclohexylpropan-1-one
CID 82259940
[5-(2-chloroethyl)-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 82260509
2-bromo-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propan-1-one;ethane
CID 170705246
[6-(2-bromoethyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82259205
[6-(2-bromobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(oxolan-2-yl)methanone
CID 82259331

Frequently Asked Questions

What is the IUPAC name of [5-(2-bromo-4-methylpentyl)-2,3-dihydroindol-1-yl]-(4-butylcyclohexyl)methanone?
The IUPAC name of [5-(2-bromo-4-methylpentyl)-2,3-dihydroindol-1-yl]-(4-butylcyclohexyl)methanone (CID 82259504) is [5-(2-bromo-4-methylpentyl)-2,3-dihydroindol-1-yl]-(4-butylcyclohexyl)methanone.
What is the SMILES notation for [5-(2-bromo-4-methylpentyl)-2,3-dihydroindol-1-yl]-(4-butylcyclohexyl)methanone?
The canonical SMILES for [5-(2-bromo-4-methylpentyl)-2,3-dihydroindol-1-yl]-(4-butylcyclohexyl)methanone is CCCCC1CCC(C(=O)N2CCc3cc(CC(Br)CC(C)C)ccc32)CC1.
What is the InChIKey of [5-(2-bromo-4-methylpentyl)-2,3-dihydroindol-1-yl]-(4-butylcyclohexyl)methanone?
The InChIKey is WLWWDKSPTAHFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38BrNO/c1-4-5-6-19-7-10-21(11-8-19)25(28)27-14-13-22-16-20(9-12-24(22)27)17-23(26)15-18(2)3/h9,12,16,18-19,21,23H,4-8,10-11,13-15,17H2,1-3H3.
What are the key properties of [5-(2-bromo-4-methylpentyl)-2,3-dihydroindol-1-yl]-(4-butylcyclohexyl)methanone?
[5-(2-bromo-4-methylpentyl)-2,3-dihydroindol-1-yl]-(4-butylcyclohexyl)methanone has a molecular weight of 448.49 g/mol, XLogP of 6.92, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bromo-4-methylpentyl)-2,3-dihydroindol-1-yl]-(4-butylcyclohexyl)methanone is sourced from PubChem (CID 82259504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).