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

C25H20ClFN2O2 — CID 25107915

IUPACN-benzyl-2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C25H20ClFN2O2/c1-2-29(15-16-6-4-3-5-7-16)25(31)24(30)22-20-14-18(26)10-13-21(20)28-23(22)17-8-11-19(27)12-9-17/h3-14,28H,2,15H2,1H3
InChIKeyKDUNDZNBEDXXSV-UHFFFAOYSA-N
MW434.90 g/mol
LogP5.86
Rot. Bonds6

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

N-benzyl-2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide (PubChem CID 25107915) has the molecular formula C25H20ClFN2O2 and a molecular weight of 434.90 g/mol. Its IUPAC name is N-benzyl-2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide
PubChem CID25107915
Molecular FormulaC25H20ClFN2O2
Molecular Weight434.90 g/mol
Exact Mass434.12
IUPAC NameN-benzyl-2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C25H20ClFN2O2/c1-2-29(15-16-6-4-3-5-7-16)25(31)24(30)22-20-14-18(26)10-13-21(20)28-23(22)17-8-11-19(27)12-9-17/h3-14,28H,2,15H2,1H3
InChIKeyKDUNDZNBEDXXSV-UHFFFAOYSA-N
XLogP5.86
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.90
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-N-methyl-2-oxoacetamide
CID 25107969
2-(5-fluoro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide
CID 25107779
N-benzyl-5-chloro-N-ethyl-3-methyl-1H-indole-2-carboxamide
CID 113204705
N-benzyl-2-(6-chloro-1H-indol-3-yl)-N-ethyl-2-oxoacetamide
CID 113208765
N'-benzyl-N'-ethyl-N-[(4-fluorophenyl)methyl]oxamide
CID 108523264
6-chloro-2-(4-fluorophenyl)-3-methyl-1H-quinolin-4-one
CID 131850822
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide
CID 108500995
2-(5-nitro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide
CID 25107713
2-oxo-N,N-dipentyl-2-(2-phenyl-1H-indol-3-yl)acetamide
CID 11350240
2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]butanoic acid
CID 174457777
1-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]urea
CID 38151425

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide?
The IUPAC name of N-benzyl-2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide (CID 25107915) is N-benzyl-2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide.
What is the SMILES notation for N-benzyl-2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide?
The canonical SMILES for N-benzyl-2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide is CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-benzyl-2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide?
The InChIKey is KDUNDZNBEDXXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN2O2/c1-2-29(15-16-6-4-3-5-7-16)25(31)24(30)22-20-14-18(26)10-13-21(20)28-23(22)17-8-11-19(27)12-9-17/h3-14,28H,2,15H2,1H3.
What are the key properties of N-benzyl-2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide?
N-benzyl-2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide has a molecular weight of 434.90 g/mol, XLogP of 5.86, 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-fluorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide is sourced from PubChem (CID 25107915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).