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

C21H21ClN2O2 — CID 25108037

IUPACN-butyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxoacetamide
SMILESCCCCN(C)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C21H21ClN2O2/c1-3-4-13-24(2)21(26)20(25)18-16-7-5-6-8-17(16)23-19(18)14-9-11-15(22)12-10-14/h5-12,23H,3-4,13H2,1-2H3
InChIKeyIKADQBVWALUMKR-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.93
Rot. Bonds6

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

N-butyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxoacetamide (PubChem CID 25108037) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is N-butyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxoacetamide.

Molecular Properties

Compound NameN-butyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxoacetamide
PubChem CID25108037
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC NameN-butyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxoacetamide
SMILESCCCCN(C)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C21H21ClN2O2/c1-3-4-13-24(2)21(26)20(25)18-16-7-5-6-8-17(16)23-19(18)14-9-11-15(22)12-10-14/h5-12,23H,3-4,13H2,1-2H3
InChIKeyIKADQBVWALUMKR-UHFFFAOYSA-N
XLogP4.93
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.93
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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2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
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1-(2-((4-Chlorophenyl)amino)-2-oxoethyl)-N-(1-isopropylpiperidin-4-YL)-1H-indole-2-carboxamide
CID 6540268
(5-chloro-1H-indol-2-yl)(piperazino)methanone
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N-methyl-N-phenyl-1H-indole-2-carboxamide
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N-(indol-3-ylglyoxylyl)benzylamine
CID 3149447

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxoacetamide?
The IUPAC name of N-butyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxoacetamide (CID 25108037) is N-butyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxoacetamide.
What is the SMILES notation for N-butyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxoacetamide?
The canonical SMILES for N-butyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxoacetamide is CCCCN(C)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-methyl-2-oxoacetamide?
The InChIKey is IKADQBVWALUMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-3-4-13-24(2)21(26)20(25)18-16-7-5-6-8-17(16)23-19(18)14-9-11-15(22)12-10-14/h5-12,23H,3-4,13H2,1-2H3.
What are the key properties of N-butyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxoacetamide?
N-butyl-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxoacetamide has a molecular weight of 368.86 g/mol, XLogP of 4.93, 6 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-methyl-2-oxoacetamide is sourced from PubChem (CID 25108037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).