N-butyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide

C22H22Cl2N2O2 — CID 25108036

IUPACN-butyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide
SMILESCCCCN(CC)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C22H22Cl2N2O2/c1-3-5-12-26(4-2)22(28)21(27)19-17-13-16(24)10-11-18(17)25-20(19)14-6-8-15(23)9-7-14/h6-11,13,25H,3-5,12H2,1-2H3
InChIKeyJNCDNGYFZIAZJF-UHFFFAOYSA-N
MW417.34 g/mol
LogP5.97
Rot. Bonds7

About N-butyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide

N-butyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide (PubChem CID 25108036) has the molecular formula C22H22Cl2N2O2 and a molecular weight of 417.34 g/mol. Its IUPAC name is N-butyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide.

Molecular Properties

Compound NameN-butyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide
PubChem CID25108036
Molecular FormulaC22H22Cl2N2O2
Molecular Weight417.34 g/mol
Exact Mass416.11
IUPAC NameN-butyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide
SMILESCCCCN(CC)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C22H22Cl2N2O2/c1-3-5-12-26(4-2)22(28)21(27)19-17-13-16(24)10-11-18(17)25-20(19)14-6-8-15(23)9-7-14/h6-11,13,25H,3-5,12H2,1-2H3
InChIKeyJNCDNGYFZIAZJF-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 N-butyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide?
The IUPAC name of N-butyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide (CID 25108036) is N-butyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide.
What is the SMILES notation for N-butyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide?
The canonical SMILES for N-butyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide is CCCCN(CC)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-butyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide?
The InChIKey is JNCDNGYFZIAZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N2O2/c1-3-5-12-26(4-2)22(28)21(27)19-17-13-16(24)10-11-18(17)25-20(19)14-6-8-15(23)9-7-14/h6-11,13,25H,3-5,12H2,1-2H3.
What are the key properties of N-butyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide?
N-butyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide 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 N-butyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide is sourced from PubChem (CID 25108036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).