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

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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).