2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide

C22H23ClN2O2 — CID 25108038

IUPAC2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide
SMILESCCCCCN(C)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C22H23ClN2O2/c1-3-4-7-14-25(2)22(27)21(26)19-17-8-5-6-9-18(17)24-20(19)15-10-12-16(23)13-11-15/h5-6,8-13,24H,3-4,7,14H2,1-2H3
InChIKeyWCBAUBGDRHZDTL-UHFFFAOYSA-N
MW382.89 g/mol
LogP5.32
Rot. Bonds7

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

2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide (PubChem CID 25108038) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide
PubChem CID25108038
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide
SMILESCCCCCN(C)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C22H23ClN2O2/c1-3-4-7-14-25(2)22(27)21(26)19-17-8-5-6-9-18(17)24-20(19)15-10-12-16(23)13-11-15/h5-6,8-13,24H,3-4,7,14H2,1-2H3
InChIKeyWCBAUBGDRHZDTL-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 2929
Jnj-7777120
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Org27569
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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
CID 821483
N-(indol-3-ylglyoxylyl)benzylamine
CID 3149447

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide (CID 25108038) is 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide is CCCCCN(C)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide?
The InChIKey is WCBAUBGDRHZDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-3-4-7-14-25(2)22(27)21(26)19-17-8-5-6-9-18(17)24-20(19)15-10-12-16(23)13-11-15/h5-6,8-13,24H,3-4,7,14H2,1-2H3.
What are the key properties of 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide?
2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide 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 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide is sourced from PubChem (CID 25108038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).