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

C18H13ClN2O3 — CID 113208859

IUPACN-(3-acetylphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)c2c[nH]c3cc(Cl)ccc23)c1
InChIInChI=1S/C18H13ClN2O3/c1-10(22)11-3-2-4-13(7-11)21-18(24)17(23)15-9-20-16-8-12(19)5-6-14(15)16/h2-9,20H,1H3,(H,21,24)
InChIKeyQEMKOVSYPXLIBJ-UHFFFAOYSA-N
MW340.77 g/mol
LogP3.85
Rot. Bonds4

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

N-(3-acetylphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 113208859) has the molecular formula C18H13ClN2O3 and a molecular weight of 340.77 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide
PubChem CID113208859
Molecular FormulaC18H13ClN2O3
Molecular Weight340.77 g/mol
Exact Mass340.06
IUPAC NameN-(3-acetylphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)c2c[nH]c3cc(Cl)ccc23)c1
InChIInChI=1S/C18H13ClN2O3/c1-10(22)11-3-2-4-13(7-11)21-18(24)17(23)15-9-20-16-8-12(19)5-6-14(15)16/h2-9,20H,1H3,(H,21,24)
InChIKeyQEMKOVSYPXLIBJ-UHFFFAOYSA-N
XLogP3.85
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(6-chloro-1H-indol-3-yl)-N-(3-chlorophenyl)-2-oxoacetamide
CID 113208837
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 54771139
N-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide
CID 113205903
2-(6-chloro-1H-indol-3-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide
CID 113208820
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113208869
ethyl 2-[[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]benzoate
CID 113208895
N-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211009
N-(4-chloro-2,5-dimethoxyphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide
CID 113208892
(6-chloro-1H-indol-3-yl)-(4-chlorophenyl)methanone
CID 43163471
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide
CID 113208798
2-(5-chloro-1H-indol-3-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 113208305
2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100836

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide (CID 113208859) is N-(3-acetylphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide is CC(=O)c1cccc(NC(=O)C(=O)c2c[nH]c3cc(Cl)ccc23)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is QEMKOVSYPXLIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3/c1-10(22)11-3-2-4-13(7-11)21-18(24)17(23)15-9-20-16-8-12(19)5-6-14(15)16/h2-9,20H,1H3,(H,21,24).
What are the key properties of N-(3-acetylphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide?
N-(3-acetylphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 340.77 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 113208859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).