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

C22H23ClN2O2 — CID 25108039

IUPACN-butyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide
SMILESCCCCN(CC)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C22H23ClN2O2/c1-3-5-14-25(4-2)22(27)21(26)19-17-8-6-7-9-18(17)24-20(19)15-10-12-16(23)13-11-15/h6-13,24H,3-5,14H2,1-2H3
InChIKeyXSCJREJFSJNICO-UHFFFAOYSA-N
MW382.89 g/mol
LogP5.32
Rot. Bonds7

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

N-butyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide (PubChem CID 25108039) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is N-butyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide.

Molecular Properties

Compound NameN-butyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide
PubChem CID25108039
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC NameN-butyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide
SMILESCCCCN(CC)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C22H23ClN2O2/c1-3-5-14-25(4-2)22(27)21(26)19-17-8-6-7-9-18(17)24-20(19)15-10-12-16(23)13-11-15/h6-13,24H,3-5,14H2,1-2H3
InChIKeyXSCJREJFSJNICO-UHFFFAOYSA-N
XLogP5.32
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.89
LogP ≤ 55.32
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

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CID 6540268
(5-chloro-1H-indol-2-yl)(piperazino)methanone
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CID 3149447

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide?
The IUPAC name of N-butyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide (CID 25108039) is N-butyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide.
What is the SMILES notation for N-butyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide?
The canonical SMILES for N-butyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide is CCCCN(CC)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12.
What is the InChIKey of N-butyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide?
The InChIKey is XSCJREJFSJNICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-3-5-14-25(4-2)22(27)21(26)19-17-8-6-7-9-18(17)24-20(19)15-10-12-16(23)13-11-15/h6-13,24H,3-5,14H2,1-2H3.
What are the key properties of N-butyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide?
N-butyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide has a molecular weight of 382.89 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide is sourced from PubChem (CID 25108039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).