1-benzyl-5-chloro-3H-indol-2-one

C15H12ClNO — CID 11172924

IUPAC1-benzyl-5-chloro-3H-indol-2-one
SMILESO=C1Cc2cc(Cl)ccc2N1Cc1ccccc1
InChIInChI=1S/C15H12ClNO/c16-13-6-7-14-12(8-13)9-15(18)17(14)10-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyUKKUNWVIUKVQJF-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.43
Rot. Bonds2

About 1-benzyl-5-chloro-3H-indol-2-one

1-benzyl-5-chloro-3H-indol-2-one (PubChem CID 11172924) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 1-benzyl-5-chloro-3H-indol-2-one.

Molecular Properties

Compound Name1-benzyl-5-chloro-3H-indol-2-one
PubChem CID11172924
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name1-benzyl-5-chloro-3H-indol-2-one
SMILESO=C1Cc2cc(Cl)ccc2N1Cc1ccccc1
InChIInChI=1S/C15H12ClNO/c16-13-6-7-14-12(8-13)9-15(18)17(14)10-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyUKKUNWVIUKVQJF-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Ldn-57444
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3-((4-Chlorophenyl)imino)indolin-2-one
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CID 81867
N-Ethyloxindole
CID 66135
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CID 314787
AR244555
CID 59004159
3-{4-[4-(4-chlorophenyl)-piperazin-1-yl]-butyl}-3-ethyl-1,3-dihydro-2H-indol-2-one
CID 11524413

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-3H-indol-2-one?
The IUPAC name of 1-benzyl-5-chloro-3H-indol-2-one (CID 11172924) is 1-benzyl-5-chloro-3H-indol-2-one.
What is the SMILES notation for 1-benzyl-5-chloro-3H-indol-2-one?
The canonical SMILES for 1-benzyl-5-chloro-3H-indol-2-one is O=C1Cc2cc(Cl)ccc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-chloro-3H-indol-2-one?
The InChIKey is UKKUNWVIUKVQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c16-13-6-7-14-12(8-13)9-15(18)17(14)10-11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of 1-benzyl-5-chloro-3H-indol-2-one?
1-benzyl-5-chloro-3H-indol-2-one has a molecular weight of 257.72 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-3H-indol-2-one is sourced from PubChem (CID 11172924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).