2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide

C22H22Cl2N2O2 — CID 11373424

IUPAC2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C22H22Cl2N2O2/c1-3-11-26(12-4-2)22(28)21(27)19-17-13-16(24)9-10-18(17)25-20(19)14-5-7-15(23)8-6-14/h5-10,13,25H,3-4,11-12H2,1-2H3
InChIKeyCZZNAZRFMIBLFO-UHFFFAOYSA-N
MW417.34 g/mol
LogP5.97
Rot. Bonds7

About 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide

2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide (PubChem CID 11373424) has the molecular formula C22H22Cl2N2O2 and a molecular weight of 417.34 g/mol. Its IUPAC name is 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide
PubChem CID11373424
Molecular FormulaC22H22Cl2N2O2
Molecular Weight417.34 g/mol
Exact Mass416.11
IUPAC Name2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C22H22Cl2N2O2/c1-3-11-26(12-4-2)22(28)21(27)19-17-13-16(24)9-10-18(17)25-20(19)14-5-7-15(23)8-6-14/h5-10,13,25H,3-4,11-12H2,1-2H3
InChIKeyCZZNAZRFMIBLFO-UHFFFAOYSA-N
XLogP5.97
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.34
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide?
The IUPAC name of 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide (CID 11373424) is 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide.
What is the SMILES notation for 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide?
The canonical SMILES for 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide is CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide?
The InChIKey is CZZNAZRFMIBLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N2O2/c1-3-11-26(12-4-2)22(28)21(27)19-17-13-16(24)9-10-18(17)25-20(19)14-5-7-15(23)8-6-14/h5-10,13,25H,3-4,11-12H2,1-2H3.
What are the key properties of 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide?
2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide has a molecular weight of 417.34 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide is sourced from PubChem (CID 11373424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).