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

Related Compounds

3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 106986983
5-chloro-3-(cyclopentylmethyl)-2,3-dihydro-1H-indole
CID 106985998
(3S)-5-chloro-3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one
CID 26367680
(3S)-5-chloro-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 26367348
5-chloro-3-[3-(cyclopropylmethoxy)propylamino]-1,3-dihydroindol-2-one
CID 43206785
7-chloro-5-cyclohexyl-3-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 163610343
7-bromo-3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 106986994
3-(2-aminoethyl)-6-chloro-1,3-dihydroindol-2-one
CID 63555127
5-bromo-3-(cyclohexylmethylamino)-1,3-dihydroindol-2-one
CID 43371475
(3R)-5-chloro-3-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 51539730
(3R,4S)-6-chloro-4-phenyl-3-piperidin-1-ium-1-yl-3,4-dihydro-1H-quinolin-2-one
CID 6937237
(3S)-7-chloro-3-(cyclopropylmethyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 139414077

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).