5-chloro-7-[(1R)-1-phenylbutoxy]-1,3-dihydroindol-2-one

C18H18ClNO2 — CID 170225619

IUPAC5-chloro-7-[(1R)-1-phenylbutoxy]-1,3-dihydroindol-2-one
SMILESCCC[C@@H](Oc1cc(Cl)cc2c1NC(=O)C2)c1ccccc1
InChIInChI=1S/C18H18ClNO2/c1-2-6-15(12-7-4-3-5-8-12)22-16-11-14(19)9-13-10-17(21)20-18(13)16/h3-5,7-9,11,15H,2,6,10H2,1H3,(H,20,21)/t15-/m1/s1
InChIKeyUPKACVHGHDEAPL-OAHLLOKOSA-N
MW315.80 g/mol
LogP4.75
Rot. Bonds5

About 5-chloro-7-[(1R)-1-phenylbutoxy]-1,3-dihydroindol-2-one

5-chloro-7-[(1R)-1-phenylbutoxy]-1,3-dihydroindol-2-one (PubChem CID 170225619) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is 5-chloro-7-[(1R)-1-phenylbutoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-7-[(1R)-1-phenylbutoxy]-1,3-dihydroindol-2-one
PubChem CID170225619
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name5-chloro-7-[(1R)-1-phenylbutoxy]-1,3-dihydroindol-2-one
SMILESCCC[C@@H](Oc1cc(Cl)cc2c1NC(=O)C2)c1ccccc1
InChIInChI=1S/C18H18ClNO2/c1-2-6-15(12-7-4-3-5-8-12)22-16-11-14(19)9-13-10-17(21)20-18(13)16/h3-5,7-9,11,15H,2,6,10H2,1H3,(H,20,21)/t15-/m1/s1
InChIKeyUPKACVHGHDEAPL-OAHLLOKOSA-N
XLogP4.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-7-[(1R)-1-phenylbutoxy]-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

1-phenylbutyl hydrogen carbonate;pyrrolidine-2,5-dione
CID 67318198
(5E)-5-[[2-chloro-4-(1-phenylbutoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87224671
6-chloro-8-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174232
3-amino-2-(5-chloro-2-oxo-1,3-dihydroindol-7-yl)propanoic acid
CID 115003616
6-chloro-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one
CID 82173804
7-ethyl-5-(1-hydroxy-2-phenoxyethyl)-1,3-dihydroindol-2-one
CID 82172932
1-methyl-4-(1-phenylbutoxy)benzene
CID 59718095
7-(1-amino-2,2-dimethylpropyl)-5-chloro-1,3-dihydroindol-2-one
CID 82173346
2-(1-phenylpentoxy)phenol
CID 67179241
2-[[4-(2,5-dichlorophenoxy)-4-phenylbutyl]-methylamino]ethanol
CID 22715142
7-(1-phenylbutoxy)-1-benzofuran
CID 142187410
2-[(3R)-3-[(6-chloro-1H-indazol-4-yl)oxy]-3-phenylpropyl]isoindole-1,3-dione
CID 169053080

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[(1R)-1-phenylbutoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-7-[(1R)-1-phenylbutoxy]-1,3-dihydroindol-2-one (CID 170225619) is 5-chloro-7-[(1R)-1-phenylbutoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-7-[(1R)-1-phenylbutoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-7-[(1R)-1-phenylbutoxy]-1,3-dihydroindol-2-one is CCC[C@@H](Oc1cc(Cl)cc2c1NC(=O)C2)c1ccccc1.
What is the InChIKey of 5-chloro-7-[(1R)-1-phenylbutoxy]-1,3-dihydroindol-2-one?
The InChIKey is UPKACVHGHDEAPL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18ClNO2/c1-2-6-15(12-7-4-3-5-8-12)22-16-11-14(19)9-13-10-17(21)20-18(13)16/h3-5,7-9,11,15H,2,6,10H2,1H3,(H,20,21)/t15-/m1/s1.
What are the key properties of 5-chloro-7-[(1R)-1-phenylbutoxy]-1,3-dihydroindol-2-one?
5-chloro-7-[(1R)-1-phenylbutoxy]-1,3-dihydroindol-2-one has a molecular weight of 315.80 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[(1R)-1-phenylbutoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 170225619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).