(2-oxo-1,3-dihydroindol-3-yl) 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoate

C25H22ClNO4 — CID 3044344

IUPAC(2-oxo-1,3-dihydroindol-3-yl) 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoate
SMILESCC(C)(Oc1ccc(Cc2ccc(Cl)cc2)cc1)C(=O)OC1C(=O)Nc2ccccc21
InChIInChI=1S/C25H22ClNO4/c1-25(2,24(29)30-22-20-5-3-4-6-21(20)27-23(22)28)31-19-13-9-17(10-14-19)15-16-7-11-18(26)12-8-16/h3-14,22H,15H2,1-2H3,(H,27,28)
InChIKeyRKSQPBNPITZXGI-UHFFFAOYSA-N
MW435.91 g/mol
LogP5.32
Rot. Bonds6

About (2-oxo-1,3-dihydroindol-3-yl) 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoate

(2-oxo-1,3-dihydroindol-3-yl) 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoate (PubChem CID 3044344) has the molecular formula C25H22ClNO4 and a molecular weight of 435.91 g/mol. Its IUPAC name is (2-oxo-1,3-dihydroindol-3-yl) 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Name(2-oxo-1,3-dihydroindol-3-yl) 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoate
PubChem CID3044344
Molecular FormulaC25H22ClNO4
Molecular Weight435.91 g/mol
Exact Mass435.12
IUPAC Name(2-oxo-1,3-dihydroindol-3-yl) 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoate
SMILESCC(C)(Oc1ccc(Cc2ccc(Cl)cc2)cc1)C(=O)OC1C(=O)Nc2ccccc21
InChIInChI=1S/C25H22ClNO4/c1-25(2,24(29)30-22-20-5-3-4-6-21(20)27-23(22)28)31-19-13-9-17(10-14-19)15-16-7-11-18(26)12-8-16/h3-14,22H,15H2,1-2H3,(H,27,28)
InChIKeyRKSQPBNPITZXGI-UHFFFAOYSA-N
XLogP5.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.91
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-dihydroindol-3-yl) 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoate?
The IUPAC name of (2-oxo-1,3-dihydroindol-3-yl) 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoate (CID 3044344) is (2-oxo-1,3-dihydroindol-3-yl) 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoate.
What is the SMILES notation for (2-oxo-1,3-dihydroindol-3-yl) 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoate?
The canonical SMILES for (2-oxo-1,3-dihydroindol-3-yl) 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoate is CC(C)(Oc1ccc(Cc2ccc(Cl)cc2)cc1)C(=O)OC1C(=O)Nc2ccccc21.
What is the InChIKey of (2-oxo-1,3-dihydroindol-3-yl) 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoate?
The InChIKey is RKSQPBNPITZXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClNO4/c1-25(2,24(29)30-22-20-5-3-4-6-21(20)27-23(22)28)31-19-13-9-17(10-14-19)15-16-7-11-18(26)12-8-16/h3-14,22H,15H2,1-2H3,(H,27,28).
What are the key properties of (2-oxo-1,3-dihydroindol-3-yl) 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoate?
(2-oxo-1,3-dihydroindol-3-yl) 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoate has a molecular weight of 435.91 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-dihydroindol-3-yl) 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoate is sourced from PubChem (CID 3044344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).