2-(5-chloro-2-methyl-1H-indol-3-yl)-N-methyl-N-phenylacetamide

C18H17ClN2O — CID 113212000

IUPAC2-(5-chloro-2-methyl-1H-indol-3-yl)-N-methyl-N-phenylacetamide
SMILESCc1[nH]c2ccc(Cl)cc2c1CC(=O)N(C)c1ccccc1
InChIInChI=1S/C18H17ClN2O/c1-12-15(16-10-13(19)8-9-17(16)20-12)11-18(22)21(2)14-6-4-3-5-7-14/h3-10,20H,11H2,1-2H3
InChIKeyQTZGVALAQRBZLT-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.34
Rot. Bonds3

About 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-methyl-N-phenylacetamide

2-(5-chloro-2-methyl-1H-indol-3-yl)-N-methyl-N-phenylacetamide (PubChem CID 113212000) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-1H-indol-3-yl)-N-methyl-N-phenylacetamide
PubChem CID113212000
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name2-(5-chloro-2-methyl-1H-indol-3-yl)-N-methyl-N-phenylacetamide
SMILESCc1[nH]c2ccc(Cl)cc2c1CC(=O)N(C)c1ccccc1
InChIInChI=1S/C18H17ClN2O/c1-12-15(16-10-13(19)8-9-17(16)20-12)11-18(22)21(2)14-6-4-3-5-7-14/h3-10,20H,11H2,1-2H3
InChIKeyQTZGVALAQRBZLT-UHFFFAOYSA-N
XLogP4.34
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 113211952
(2S)-2-amino-3-(5-chloro-2-methyl-1H-indol-3-yl)propanoic acid
CID 91184565
5-chloro-3-[2-(5-chloro-N,2-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 22431028
2-(5-chloro-2-methyl-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 113211930
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(5-chloro-2-methylphenyl)acetamide
CID 113212020
2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methyl-N-phenylacetamide
CID 110773536
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113212039
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide
CID 31968622
2-(5-chloro-2-methyl-1H-indol-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 113211979
N-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide
CID 113212058
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 113211934
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide
CID 113212078

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-methyl-N-phenylacetamide (CID 113212000) is 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-methyl-N-phenylacetamide is Cc1[nH]c2ccc(Cl)cc2c1CC(=O)N(C)c1ccccc1.
What is the InChIKey of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-methyl-N-phenylacetamide?
The InChIKey is QTZGVALAQRBZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-12-15(16-10-13(19)8-9-17(16)20-12)11-18(22)21(2)14-6-4-3-5-7-14/h3-10,20H,11H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-methyl-N-phenylacetamide?
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-methyl-N-phenylacetamide has a molecular weight of 312.80 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 113212000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).