N,N-dibutyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxoacetamide

C24H27ClN2O2 — CID 11223628

IUPACN,N-dibutyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxoacetamide
SMILESCCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C24H27ClN2O2/c1-3-5-15-27(16-6-4-2)24(29)23(28)21-19-9-7-8-10-20(19)26-22(21)17-11-13-18(25)14-12-17/h7-14,26H,3-6,15-16H2,1-2H3
InChIKeyXWAKPXGLAPHIDZ-UHFFFAOYSA-N
MW410.95 g/mol
LogP6.10
Rot. Bonds9

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

N,N-dibutyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxoacetamide (PubChem CID 11223628) has the molecular formula C24H27ClN2O2 and a molecular weight of 410.95 g/mol. Its IUPAC name is N,N-dibutyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxoacetamide
PubChem CID11223628
Molecular FormulaC24H27ClN2O2
Molecular Weight410.95 g/mol
Exact Mass410.18
IUPAC NameN,N-dibutyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxoacetamide
SMILESCCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C24H27ClN2O2/c1-3-5-15-27(16-6-4-2)24(29)23(28)21-19-9-7-8-10-20(19)26-22(21)17-11-13-18(25)14-12-17/h7-14,26H,3-6,15-16H2,1-2H3
InChIKeyXWAKPXGLAPHIDZ-UHFFFAOYSA-N
XLogP6.10
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.95
LogP ≤ 56.10
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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N-methyl-N-phenyl-1H-indole-2-carboxamide
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N-(indol-3-ylglyoxylyl)benzylamine
CID 3149447
N-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2068180

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxoacetamide?
The IUPAC name of N,N-dibutyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxoacetamide (CID 11223628) is N,N-dibutyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N,N-dibutyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxoacetamide?
The canonical SMILES for N,N-dibutyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxoacetamide is CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12.
What is the InChIKey of N,N-dibutyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxoacetamide?
The InChIKey is XWAKPXGLAPHIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O2/c1-3-5-15-27(16-6-4-2)24(29)23(28)21-19-9-7-8-10-20(19)26-22(21)17-11-13-18(25)14-12-17/h7-14,26H,3-6,15-16H2,1-2H3.
What are the key properties of N,N-dibutyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxoacetamide?
N,N-dibutyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxoacetamide has a molecular weight of 410.95 g/mol, XLogP of 6.10, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 11223628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).