5-chloro-3-(2-chlorophenyl)-3-[(2-hydroxy-1-phenylethyl)amino]-1H-indol-2-one

C22H18Cl2N2O2 — CID 19076370

IUPAC5-chloro-3-(2-chlorophenyl)-3-[(2-hydroxy-1-phenylethyl)amino]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1(NC(CO)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C22H18Cl2N2O2/c23-15-10-11-19-17(12-15)22(21(28)25-19,16-8-4-5-9-18(16)24)26-20(13-27)14-6-2-1-3-7-14/h1-12,20,26-27H,13H2,(H,25,28)
InChIKeyBFYBTWOTCLTOPK-UHFFFAOYSA-N
MW413.30 g/mol
LogP4.51
Rot. Bonds5

About 5-chloro-3-(2-chlorophenyl)-3-[(2-hydroxy-1-phenylethyl)amino]-1H-indol-2-one

5-chloro-3-(2-chlorophenyl)-3-[(2-hydroxy-1-phenylethyl)amino]-1H-indol-2-one (PubChem CID 19076370) has the molecular formula C22H18Cl2N2O2 and a molecular weight of 413.30 g/mol. Its IUPAC name is 5-chloro-3-(2-chlorophenyl)-3-[(2-hydroxy-1-phenylethyl)amino]-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-(2-chlorophenyl)-3-[(2-hydroxy-1-phenylethyl)amino]-1H-indol-2-one
PubChem CID19076370
Molecular FormulaC22H18Cl2N2O2
Molecular Weight413.30 g/mol
Exact Mass412.07
IUPAC Name5-chloro-3-(2-chlorophenyl)-3-[(2-hydroxy-1-phenylethyl)amino]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1(NC(CO)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C22H18Cl2N2O2/c23-15-10-11-19-17(12-15)22(21(28)25-19,16-8-4-5-9-18(16)24)26-20(13-27)14-6-2-1-3-7-14/h1-12,20,26-27H,13H2,(H,25,28)
InChIKeyBFYBTWOTCLTOPK-UHFFFAOYSA-N
XLogP4.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.30
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-chlorophenyl)-3-[(2-hydroxy-1-phenylethyl)amino]-1H-indol-2-one?
The IUPAC name of 5-chloro-3-(2-chlorophenyl)-3-[(2-hydroxy-1-phenylethyl)amino]-1H-indol-2-one (CID 19076370) is 5-chloro-3-(2-chlorophenyl)-3-[(2-hydroxy-1-phenylethyl)amino]-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-(2-chlorophenyl)-3-[(2-hydroxy-1-phenylethyl)amino]-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-(2-chlorophenyl)-3-[(2-hydroxy-1-phenylethyl)amino]-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2C1(NC(CO)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 5-chloro-3-(2-chlorophenyl)-3-[(2-hydroxy-1-phenylethyl)amino]-1H-indol-2-one?
The InChIKey is BFYBTWOTCLTOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O2/c23-15-10-11-19-17(12-15)22(21(28)25-19,16-8-4-5-9-18(16)24)26-20(13-27)14-6-2-1-3-7-14/h1-12,20,26-27H,13H2,(H,25,28).
What are the key properties of 5-chloro-3-(2-chlorophenyl)-3-[(2-hydroxy-1-phenylethyl)amino]-1H-indol-2-one?
5-chloro-3-(2-chlorophenyl)-3-[(2-hydroxy-1-phenylethyl)amino]-1H-indol-2-one has a molecular weight of 413.30 g/mol, XLogP of 4.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-chlorophenyl)-3-[(2-hydroxy-1-phenylethyl)amino]-1H-indol-2-one is sourced from PubChem (CID 19076370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).