2-(7-chloro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide

C22H23ClN2O2 — CID 25107783

IUPAC2-(7-chloro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C22H23ClN2O2/c1-3-13-25(14-4-2)22(27)21(26)18-16-11-8-12-17(23)20(16)24-19(18)15-9-6-5-7-10-15/h5-12,24H,3-4,13-14H2,1-2H3
InChIKeyBKNHJXQVSNLFOI-UHFFFAOYSA-N
MW382.89 g/mol
LogP5.32
Rot. Bonds7

About 2-(7-chloro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide

2-(7-chloro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide (PubChem CID 25107783) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 2-(7-chloro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(7-chloro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide
PubChem CID25107783
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name2-(7-chloro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C22H23ClN2O2/c1-3-13-25(14-4-2)22(27)21(26)18-16-11-8-12-17(23)20(16)24-19(18)15-9-6-5-7-10-15/h5-12,24H,3-4,13-14H2,1-2H3
InChIKeyBKNHJXQVSNLFOI-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

Jnj-7777120
CID 4908365
Org27569
CID 44828492
2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2-oxoacetamide
CID 11744496
Jwh-303
CID 44397333
5-chloro-N-(4-(4-(2,4-dichlorophenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
CID 10367857
[3-chloro-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)phenyl]urea
CID 16065975
4-(3-Acetyl-6-chloroindol-1-yl)-3-chlorobenzamide
CID 16066442
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2226536
1-(2-phenyl-1H-indol-3-yl)-2-(piperidin-1-yl)ethane-1,2-dione
CID 3707234
1-(4-benzoylpiperazin-1-yl)-2-(4-chloro-1H-indol-3-yl)ethane-1,2-dione
CID 506215
N-Ethyl-alpha-oxo-2-phenyl-1H-indole-3-acetamide
CID 3819583
1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
CID 7117510

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide?
The IUPAC name of 2-(7-chloro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide (CID 25107783) is 2-(7-chloro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide.
What is the SMILES notation for 2-(7-chloro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide?
The canonical SMILES for 2-(7-chloro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide is CCCN(CCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2c(Cl)cccc12.
What is the InChIKey of 2-(7-chloro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide?
The InChIKey is BKNHJXQVSNLFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-3-13-25(14-4-2)22(27)21(26)18-16-11-8-12-17(23)20(16)24-19(18)15-9-6-5-7-10-15/h5-12,24H,3-4,13-14H2,1-2H3.
What are the key properties of 2-(7-chloro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide?
2-(7-chloro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide 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-(7-chloro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide is sourced from PubChem (CID 25107783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).