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

C25H20Cl2N2O2 — CID 25107854

IUPACN-benzyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C25H20Cl2N2O2/c1-2-29(15-16-6-4-3-5-7-16)25(31)24(30)22-20-14-19(27)12-13-21(20)28-23(22)17-8-10-18(26)11-9-17/h3-14,28H,2,15H2,1H3
InChIKeyDWDPHNDOJKUWIO-UHFFFAOYSA-N
MW451.35 g/mol
LogP6.37
Rot. Bonds6

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

N-benzyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide (PubChem CID 25107854) has the molecular formula C25H20Cl2N2O2 and a molecular weight of 451.35 g/mol. Its IUPAC name is N-benzyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide
PubChem CID25107854
Molecular FormulaC25H20Cl2N2O2
Molecular Weight451.35 g/mol
Exact Mass450.09
IUPAC NameN-benzyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C25H20Cl2N2O2/c1-2-29(15-16-6-4-3-5-7-16)25(31)24(30)22-20-14-19(27)12-13-21(20)28-23(22)17-8-10-18(26)11-9-17/h3-14,28H,2,15H2,1H3
InChIKeyDWDPHNDOJKUWIO-UHFFFAOYSA-N
XLogP6.37
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.35
LogP ≤ 56.37
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-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide?
The IUPAC name of N-benzyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide (CID 25107854) is N-benzyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide.
What is the SMILES notation for N-benzyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide?
The canonical SMILES for N-benzyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide is CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-benzyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide?
The InChIKey is DWDPHNDOJKUWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N2O2/c1-2-29(15-16-6-4-3-5-7-16)25(31)24(30)22-20-14-19(27)12-13-21(20)28-23(22)17-8-10-18(26)11-9-17/h3-14,28H,2,15H2,1H3.
What are the key properties of N-benzyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide?
N-benzyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide has a molecular weight of 451.35 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide is sourced from PubChem (CID 25107854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).