2-chloro-1-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]butan-1-one

C19H24ClNO2 — CID 82259087

IUPAC2-chloro-1-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]butan-1-one
SMILESCCC(Cl)C(=O)c1ccc2c(c1)CCN2C(=O)C1CCCCC1
InChIInChI=1S/C19H24ClNO2/c1-2-16(20)18(22)15-8-9-17-14(12-15)10-11-21(17)19(23)13-6-4-3-5-7-13/h8-9,12-13,16H,2-7,10-11H2,1H3
InChIKeyRZLBVGOFZDFGEG-UHFFFAOYSA-N
MW333.86 g/mol
LogP4.36
Rot. Bonds4

About 2-chloro-1-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]butan-1-one

2-chloro-1-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]butan-1-one (PubChem CID 82259087) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is 2-chloro-1-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]butan-1-one.

Molecular Properties

Compound Name2-chloro-1-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]butan-1-one
PubChem CID82259087
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name2-chloro-1-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]butan-1-one
SMILESCCC(Cl)C(=O)c1ccc2c(c1)CCN2C(=O)C1CCCCC1
InChIInChI=1S/C19H24ClNO2/c1-2-16(20)18(22)15-8-9-17-14(12-15)10-11-21(17)19(23)13-6-4-3-5-7-13/h8-9,12-13,16H,2-7,10-11H2,1H3
InChIKeyRZLBVGOFZDFGEG-UHFFFAOYSA-N
XLogP4.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-1-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]butan-1-one 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-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]butan-1-one
CID 82258730
methyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate
CID 86917335
2-chloro-1-[1-(2-methoxyacetyl)-2,3-dihydroindol-5-yl]butan-1-one
CID 82259088
2-bromo-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propan-1-one;ethane
CID 170705246
1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737681
2-bromo-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]ethanone
CID 82258607
N-cyclopentyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide
CID 53080886
2-bromo-1-[1-(4-butylcyclohexanecarbonyl)-2,3-dihydroindol-5-yl]-3-methylbutan-1-one
CID 82258873
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 46644479
5-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]pentanoic acid
CID 82260166
2-bromo-1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropan-1-one
CID 82258968
1-[1-(4-butylcyclohexanecarbonyl)-2,3-dihydroindol-5-yl]-4-chlorobutan-1-one
CID 82259134

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]butan-1-one?
The IUPAC name of 2-chloro-1-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]butan-1-one (CID 82259087) is 2-chloro-1-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]butan-1-one.
What is the SMILES notation for 2-chloro-1-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]butan-1-one?
The canonical SMILES for 2-chloro-1-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]butan-1-one is CCC(Cl)C(=O)c1ccc2c(c1)CCN2C(=O)C1CCCCC1.
What is the InChIKey of 2-chloro-1-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]butan-1-one?
The InChIKey is RZLBVGOFZDFGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO2/c1-2-16(20)18(22)15-8-9-17-14(12-15)10-11-21(17)19(23)13-6-4-3-5-7-13/h8-9,12-13,16H,2-7,10-11H2,1H3.
What are the key properties of 2-chloro-1-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]butan-1-one?
2-chloro-1-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]butan-1-one has a molecular weight of 333.86 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]butan-1-one is sourced from PubChem (CID 82259087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).