N-(1-acetylindol-3-yl)-2-chloro-N-phenylacetamide

C18H15ClN2O2 — CID 818739

IUPACN-(1-acetylindol-3-yl)-2-chloro-N-phenylacetamide
SMILESCC(=O)n1cc(N(C(=O)CCl)c2ccccc2)c2ccccc21
InChIInChI=1S/C18H15ClN2O2/c1-13(22)20-12-17(15-9-5-6-10-16(15)20)21(18(23)11-19)14-7-3-2-4-8-14/h2-10,12H,11H2,1H3
InChIKeyWBOSXUZOTDUZFB-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.20
Rot. Bonds3

About N-(1-acetylindol-3-yl)-2-chloro-N-phenylacetamide

N-(1-acetylindol-3-yl)-2-chloro-N-phenylacetamide (PubChem CID 818739) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-(1-acetylindol-3-yl)-2-chloro-N-phenylacetamide.

Molecular Properties

Compound NameN-(1-acetylindol-3-yl)-2-chloro-N-phenylacetamide
PubChem CID818739
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-(1-acetylindol-3-yl)-2-chloro-N-phenylacetamide
SMILESCC(=O)n1cc(N(C(=O)CCl)c2ccccc2)c2ccccc21
InChIInChI=1S/C18H15ClN2O2/c1-13(22)20-12-17(15-9-5-6-10-16(15)20)21(18(23)11-19)14-7-3-2-4-8-14/h2-10,12H,11H2,1H3
InChIKeyWBOSXUZOTDUZFB-UHFFFAOYSA-N
XLogP4.20
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethanone, 1-(1H-indol-1-yl)-
CID 68470
1-acetyl-N-(4-nitrophenyl)-1H-indol-3-amine
CID 12426536
2-chloro-N-(4-chlorophenyl)-N-(1H-indol-3-yl)acetamide
CID 818737
N-Propionylindole
CID 52373
1-(3-Methyl-1H-indol-1-yl)ethanone
CID 31979
N-(1-acetyl-1H-indol-3-yl)-N-(4-chlorophenyl)acetamide
CID 2289673
N-(1-acetyl-1H-indol-3-yl)-2-chloro-N-(4-chlorophenyl)acetamide
CID 2017227
2-chloro-N-(1H-indol-3-yl)-N-phenylacetamide
CID 818740
N-(2-(1H-Indol-1-yl)ethyl)acetamide
CID 3237007
1-[5-(1-Methyl-1H-indol-3-yl)-3-phenyl-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 3722411
5,5-Dimethyl-3-{4-[4-(1-phenyl-1H-indol-3-yl)-piperazin-1-yl]-butyl}-thiazolidin-4-one
CID 10695381
(E)-1-indol-1-yl-3-phenylprop-2-en-1-one
CID 11139452

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylindol-3-yl)-2-chloro-N-phenylacetamide?
The IUPAC name of N-(1-acetylindol-3-yl)-2-chloro-N-phenylacetamide (CID 818739) is N-(1-acetylindol-3-yl)-2-chloro-N-phenylacetamide.
What is the SMILES notation for N-(1-acetylindol-3-yl)-2-chloro-N-phenylacetamide?
The canonical SMILES for N-(1-acetylindol-3-yl)-2-chloro-N-phenylacetamide is CC(=O)n1cc(N(C(=O)CCl)c2ccccc2)c2ccccc21.
What is the InChIKey of N-(1-acetylindol-3-yl)-2-chloro-N-phenylacetamide?
The InChIKey is WBOSXUZOTDUZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-13(22)20-12-17(15-9-5-6-10-16(15)20)21(18(23)11-19)14-7-3-2-4-8-14/h2-10,12H,11H2,1H3.
What are the key properties of N-(1-acetylindol-3-yl)-2-chloro-N-phenylacetamide?
N-(1-acetylindol-3-yl)-2-chloro-N-phenylacetamide has a molecular weight of 326.78 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylindol-3-yl)-2-chloro-N-phenylacetamide is sourced from PubChem (CID 818739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).