5-chloro-3-(cyclohexylmethyl)-1,3-dihydroindol-2-one

C15H18ClNO — CID 19076497

IUPAC5-chloro-3-(cyclohexylmethyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1CC1CCCCC1
InChIInChI=1S/C15H18ClNO/c16-11-6-7-14-12(9-11)13(15(18)17-14)8-10-4-2-1-3-5-10/h6-7,9-10,13H,1-5,8H2,(H,17,18)
InChIKeyXLGTYAKTTWRNEH-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.35
Rot. Bonds2

About 5-chloro-3-(cyclohexylmethyl)-1,3-dihydroindol-2-one

5-chloro-3-(cyclohexylmethyl)-1,3-dihydroindol-2-one (PubChem CID 19076497) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 5-chloro-3-(cyclohexylmethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(cyclohexylmethyl)-1,3-dihydroindol-2-one
PubChem CID19076497
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name5-chloro-3-(cyclohexylmethyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1CC1CCCCC1
InChIInChI=1S/C15H18ClNO/c16-11-6-7-14-12(9-11)13(15(18)17-14)8-10-4-2-1-3-5-10/h6-7,9-10,13H,1-5,8H2,(H,17,18)
InChIKeyXLGTYAKTTWRNEH-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-chloro-3-(cyclohexylmethyl)-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(cyclohexylmethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(cyclohexylmethyl)-1,3-dihydroindol-2-one (CID 19076497) is 5-chloro-3-(cyclohexylmethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(cyclohexylmethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(cyclohexylmethyl)-1,3-dihydroindol-2-one is O=C1Nc2ccc(Cl)cc2C1CC1CCCCC1.
What is the InChIKey of 5-chloro-3-(cyclohexylmethyl)-1,3-dihydroindol-2-one?
The InChIKey is XLGTYAKTTWRNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c16-11-6-7-14-12(9-11)13(15(18)17-14)8-10-4-2-1-3-5-10/h6-7,9-10,13H,1-5,8H2,(H,17,18).
What are the key properties of 5-chloro-3-(cyclohexylmethyl)-1,3-dihydroindol-2-one?
5-chloro-3-(cyclohexylmethyl)-1,3-dihydroindol-2-one has a molecular weight of 263.77 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(cyclohexylmethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 19076497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).