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

C25H21ClN2O2 — CID 25108230

IUPACN-benzyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C25H21ClN2O2/c1-2-28(16-17-8-4-3-5-9-17)25(30)24(29)22-20-10-6-7-11-21(20)27-23(22)18-12-14-19(26)15-13-18/h3-15,27H,2,16H2,1H3
InChIKeyWSQUIVAMQQXLNJ-UHFFFAOYSA-N
MW416.91 g/mol
LogP5.72
Rot. Bonds6

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

N-benzyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide (PubChem CID 25108230) has the molecular formula C25H21ClN2O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is N-benzyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide
PubChem CID25108230
Molecular FormulaC25H21ClN2O2
Molecular Weight416.91 g/mol
Exact Mass416.13
IUPAC NameN-benzyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C25H21ClN2O2/c1-2-28(16-17-8-4-3-5-9-17)25(30)24(29)22-20-10-6-7-11-21(20)27-23(22)18-12-14-19(26)15-13-18/h3-15,27H,2,16H2,1H3
InChIKeyWSQUIVAMQQXLNJ-UHFFFAOYSA-N
XLogP5.72
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.91
LogP ≤ 55.72
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-benzyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide?
The IUPAC name of N-benzyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide (CID 25108230) is N-benzyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide.
What is the SMILES notation for N-benzyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide?
The canonical SMILES for N-benzyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide is CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12.
What is the InChIKey of N-benzyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide?
The InChIKey is WSQUIVAMQQXLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O2/c1-2-28(16-17-8-4-3-5-9-17)25(30)24(29)22-20-10-6-7-11-21(20)27-23(22)18-12-14-19(26)15-13-18/h3-15,27H,2,16H2,1H3.
What are the key properties of N-benzyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide?
N-benzyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide has a molecular weight of 416.91 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide is sourced from PubChem (CID 25108230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).