3-(1,3-benzodioxol-5-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one

C22H16ClNO4 — CID 58872481

IUPAC3-(1,3-benzodioxol-5-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one
SMILESO=C1N(Cc2ccccc2Cl)c2ccccc2C1(O)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H16ClNO4/c23-17-7-3-1-5-14(17)12-24-18-8-4-2-6-16(18)22(26,21(24)25)15-9-10-19-20(11-15)28-13-27-19/h1-11,26H,12-13H2
InChIKeySWRXSCYBXDADSY-UHFFFAOYSA-N
MW393.83 g/mol
LogP3.85
Rot. Bonds3

About 3-(1,3-benzodioxol-5-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one

3-(1,3-benzodioxol-5-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one (PubChem CID 58872481) has the molecular formula C22H16ClNO4 and a molecular weight of 393.83 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one
PubChem CID58872481
Molecular FormulaC22H16ClNO4
Molecular Weight393.83 g/mol
Exact Mass393.08
IUPAC Name3-(1,3-benzodioxol-5-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one
SMILESO=C1N(Cc2ccccc2Cl)c2ccccc2C1(O)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H16ClNO4/c23-17-7-3-1-5-14(17)12-24-18-8-4-2-6-16(18)22(26,21(24)25)15-9-10-19-20(11-15)28-13-27-19/h1-11,26H,12-13H2
InChIKeySWRXSCYBXDADSY-UHFFFAOYSA-N
XLogP3.85
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzodioxol-5-yl)-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one
CID 12004190
3-(1,3-benzodioxol-5-yl)-1-[(4-chlorophenyl)methyl]-3-hydroxy-5-phenylindol-2-one
CID 12004244
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 7692061
1-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]urea
CID 35524616
3-(1,3-benzodioxol-5-yl)-7-fluoro-3-hydroxy-1-pentylindol-2-one
CID 12004358
(3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-1-[(2-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 42558789
(3S)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one
CID 40874882
(3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one
CID 1287714
(5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 7180504
1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2-oxochromen-3-yl)ethyl]indol-2-one
CID 2928032
2-(1,3-benzodioxol-5-ylmethyl)-1'-[(2-chlorophenyl)methyl]-6,7-dimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869844
(3S)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 1252411

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one (CID 58872481) is 3-(1,3-benzodioxol-5-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one is O=C1N(Cc2ccccc2Cl)c2ccccc2C1(O)c1ccc2c(c1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one?
The InChIKey is SWRXSCYBXDADSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO4/c23-17-7-3-1-5-14(17)12-24-18-8-4-2-6-16(18)22(26,21(24)25)15-9-10-19-20(11-15)28-13-27-19/h1-11,26H,12-13H2.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one?
3-(1,3-benzodioxol-5-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one has a molecular weight of 393.83 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one is sourced from PubChem (CID 58872481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).