N-benzyl-2-(6-chloro-1H-indol-3-yl)-N-ethyl-2-oxoacetamide

C19H17ClN2O2 — CID 113208765

IUPACN-benzyl-2-(6-chloro-1H-indol-3-yl)-N-ethyl-2-oxoacetamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C19H17ClN2O2/c1-2-22(12-13-6-4-3-5-7-13)19(24)18(23)16-11-21-17-10-14(20)8-9-15(16)17/h3-11,21H,2,12H2,1H3
InChIKeyDFMATIFIEOVAKD-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.05
Rot. Bonds5

About N-benzyl-2-(6-chloro-1H-indol-3-yl)-N-ethyl-2-oxoacetamide

N-benzyl-2-(6-chloro-1H-indol-3-yl)-N-ethyl-2-oxoacetamide (PubChem CID 113208765) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is N-benzyl-2-(6-chloro-1H-indol-3-yl)-N-ethyl-2-oxoacetamide.

Molecular Properties

Compound NameN-benzyl-2-(6-chloro-1H-indol-3-yl)-N-ethyl-2-oxoacetamide
PubChem CID113208765
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC NameN-benzyl-2-(6-chloro-1H-indol-3-yl)-N-ethyl-2-oxoacetamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C19H17ClN2O2/c1-2-22(12-13-6-4-3-5-7-13)19(24)18(23)16-11-21-17-10-14(20)8-9-15(16)17/h3-11,21H,2,12H2,1H3
InChIKeyDFMATIFIEOVAKD-UHFFFAOYSA-N
XLogP4.05
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.05
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

N-benzyl-6-chloro-N-propan-2-yl-1H-indole-3-carboxamide
CID 113206400
2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid
CID 22556709
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide
CID 113208798
N-benzyl-N-ethyl-6-methoxy-1H-indole-3-carboxamide
CID 113206541
N-benzyl-2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide
CID 25107915
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 54771139
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-ethyl-2-(1H-indol-3-yl)-2-oxo-N-prop-2-enylacetamide
CID 18884826
1-(6-chloro-1H-indol-3-yl)-2-(3-chlorophenyl)ethanone
CID 63492171
N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide
CID 28826070
N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide
CID 108500995
N-benzyl-5-chloro-N-ethyl-3-methyl-1H-indole-2-carboxamide
CID 113204705

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6-chloro-1H-indol-3-yl)-N-ethyl-2-oxoacetamide?
The IUPAC name of N-benzyl-2-(6-chloro-1H-indol-3-yl)-N-ethyl-2-oxoacetamide (CID 113208765) is N-benzyl-2-(6-chloro-1H-indol-3-yl)-N-ethyl-2-oxoacetamide.
What is the SMILES notation for N-benzyl-2-(6-chloro-1H-indol-3-yl)-N-ethyl-2-oxoacetamide?
The canonical SMILES for N-benzyl-2-(6-chloro-1H-indol-3-yl)-N-ethyl-2-oxoacetamide is CCN(Cc1ccccc1)C(=O)C(=O)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-benzyl-2-(6-chloro-1H-indol-3-yl)-N-ethyl-2-oxoacetamide?
The InChIKey is DFMATIFIEOVAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-2-22(12-13-6-4-3-5-7-13)19(24)18(23)16-11-21-17-10-14(20)8-9-15(16)17/h3-11,21H,2,12H2,1H3.
What are the key properties of N-benzyl-2-(6-chloro-1H-indol-3-yl)-N-ethyl-2-oxoacetamide?
N-benzyl-2-(6-chloro-1H-indol-3-yl)-N-ethyl-2-oxoacetamide has a molecular weight of 340.81 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-chloro-1H-indol-3-yl)-N-ethyl-2-oxoacetamide is sourced from PubChem (CID 113208765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).