3-benzyl-5-(4-chloroanilino)-3-hydroxy-1H-indol-2-one

C21H17ClN2O2 — CID 141465866

IUPAC3-benzyl-5-(4-chloroanilino)-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccc(Nc3ccc(Cl)cc3)cc2C1(O)Cc1ccccc1
InChIInChI=1S/C21H17ClN2O2/c22-15-6-8-16(9-7-15)23-17-10-11-19-18(12-17)21(26,20(25)24-19)13-14-4-2-1-3-5-14/h1-12,23,26H,13H2,(H,24,25)
InChIKeyHEFQUOKVVKPVPJ-UHFFFAOYSA-N
MW364.83 g/mol
LogP4.47
Rot. Bonds4

About 3-benzyl-5-(4-chloroanilino)-3-hydroxy-1H-indol-2-one

3-benzyl-5-(4-chloroanilino)-3-hydroxy-1H-indol-2-one (PubChem CID 141465866) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 3-benzyl-5-(4-chloroanilino)-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-benzyl-5-(4-chloroanilino)-3-hydroxy-1H-indol-2-one
PubChem CID141465866
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name3-benzyl-5-(4-chloroanilino)-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccc(Nc3ccc(Cl)cc3)cc2C1(O)Cc1ccccc1
InChIInChI=1S/C21H17ClN2O2/c22-15-6-8-16(9-7-15)23-17-10-11-19-18(12-17)21(26,20(25)24-19)13-14-4-2-1-3-5-14/h1-12,23,26H,13H2,(H,24,25)
InChIKeyHEFQUOKVVKPVPJ-UHFFFAOYSA-N
XLogP4.47
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(4-chloroanilino)-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-benzyl-5-(4-chloroanilino)-3-hydroxy-1H-indol-2-one (CID 141465866) is 3-benzyl-5-(4-chloroanilino)-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-benzyl-5-(4-chloroanilino)-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-benzyl-5-(4-chloroanilino)-3-hydroxy-1H-indol-2-one is O=C1Nc2ccc(Nc3ccc(Cl)cc3)cc2C1(O)Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-(4-chloroanilino)-3-hydroxy-1H-indol-2-one?
The InChIKey is HEFQUOKVVKPVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c22-15-6-8-16(9-7-15)23-17-10-11-19-18(12-17)21(26,20(25)24-19)13-14-4-2-1-3-5-14/h1-12,23,26H,13H2,(H,24,25).
What are the key properties of 3-benzyl-5-(4-chloroanilino)-3-hydroxy-1H-indol-2-one?
3-benzyl-5-(4-chloroanilino)-3-hydroxy-1H-indol-2-one has a molecular weight of 364.83 g/mol, XLogP of 4.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(4-chloroanilino)-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 141465866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).