5-chloro-3-(2-chlorophenyl)-3-[2-[di(propan-2-yl)amino]ethylamino]-1H-indol-2-one

C22H27Cl2N3O — CID 19076494

IUPAC5-chloro-3-(2-chlorophenyl)-3-[2-[di(propan-2-yl)amino]ethylamino]-1H-indol-2-one
SMILESCC(C)N(CCNC1(c2ccccc2Cl)C(=O)Nc2ccc(Cl)cc21)C(C)C
InChIInChI=1S/C22H27Cl2N3O/c1-14(2)27(15(3)4)12-11-25-22(17-7-5-6-8-19(17)24)18-13-16(23)9-10-20(18)26-21(22)28/h5-10,13-15,25H,11-12H2,1-4H3,(H,26,28)
InChIKeyYRHHDCUYAABHJM-UHFFFAOYSA-N
MW420.38 g/mol
LogP4.90
Rot. Bonds7

About 5-chloro-3-(2-chlorophenyl)-3-[2-[di(propan-2-yl)amino]ethylamino]-1H-indol-2-one

5-chloro-3-(2-chlorophenyl)-3-[2-[di(propan-2-yl)amino]ethylamino]-1H-indol-2-one (PubChem CID 19076494) has the molecular formula C22H27Cl2N3O and a molecular weight of 420.38 g/mol. Its IUPAC name is 5-chloro-3-(2-chlorophenyl)-3-[2-[di(propan-2-yl)amino]ethylamino]-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-(2-chlorophenyl)-3-[2-[di(propan-2-yl)amino]ethylamino]-1H-indol-2-one
PubChem CID19076494
Molecular FormulaC22H27Cl2N3O
Molecular Weight420.38 g/mol
Exact Mass419.15
IUPAC Name5-chloro-3-(2-chlorophenyl)-3-[2-[di(propan-2-yl)amino]ethylamino]-1H-indol-2-one
SMILESCC(C)N(CCNC1(c2ccccc2Cl)C(=O)Nc2ccc(Cl)cc21)C(C)C
InChIInChI=1S/C22H27Cl2N3O/c1-14(2)27(15(3)4)12-11-25-22(17-7-5-6-8-19(17)24)18-13-16(23)9-10-20(18)26-21(22)28/h5-10,13-15,25H,11-12H2,1-4H3,(H,26,28)
InChIKeyYRHHDCUYAABHJM-UHFFFAOYSA-N
XLogP4.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-chlorophenyl)-3-[2-[di(propan-2-yl)amino]ethylamino]-1H-indol-2-one?
The IUPAC name of 5-chloro-3-(2-chlorophenyl)-3-[2-[di(propan-2-yl)amino]ethylamino]-1H-indol-2-one (CID 19076494) is 5-chloro-3-(2-chlorophenyl)-3-[2-[di(propan-2-yl)amino]ethylamino]-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-(2-chlorophenyl)-3-[2-[di(propan-2-yl)amino]ethylamino]-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-(2-chlorophenyl)-3-[2-[di(propan-2-yl)amino]ethylamino]-1H-indol-2-one is CC(C)N(CCNC1(c2ccccc2Cl)C(=O)Nc2ccc(Cl)cc21)C(C)C.
What is the InChIKey of 5-chloro-3-(2-chlorophenyl)-3-[2-[di(propan-2-yl)amino]ethylamino]-1H-indol-2-one?
The InChIKey is YRHHDCUYAABHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2N3O/c1-14(2)27(15(3)4)12-11-25-22(17-7-5-6-8-19(17)24)18-13-16(23)9-10-20(18)26-21(22)28/h5-10,13-15,25H,11-12H2,1-4H3,(H,26,28).
What are the key properties of 5-chloro-3-(2-chlorophenyl)-3-[2-[di(propan-2-yl)amino]ethylamino]-1H-indol-2-one?
5-chloro-3-(2-chlorophenyl)-3-[2-[di(propan-2-yl)amino]ethylamino]-1H-indol-2-one has a molecular weight of 420.38 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-chlorophenyl)-3-[2-[di(propan-2-yl)amino]ethylamino]-1H-indol-2-one is sourced from PubChem (CID 19076494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).