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

C19H19ClN2O — CID 113211952

IUPAC2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
SMILESCc1[nH]c2ccc(Cl)cc2c1CC(=O)NCCc1ccccc1
InChIInChI=1S/C19H19ClN2O/c1-13-16(17-11-15(20)7-8-18(17)22-13)12-19(23)21-10-9-14-5-3-2-4-6-14/h2-8,11,22H,9-10,12H2,1H3,(H,21,23)
InChIKeyAGMIHOUWBHDRSN-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.03
Rot. Bonds5

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

2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide (PubChem CID 113211952) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
PubChem CID113211952
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
SMILESCc1[nH]c2ccc(Cl)cc2c1CC(=O)NCCc1ccccc1
InChIInChI=1S/C19H19ClN2O/c1-13-16(17-11-15(20)7-8-18(17)22-13)12-19(23)21-10-9-14-5-3-2-4-6-14/h2-8,11,22H,9-10,12H2,1H3,(H,21,23)
InChIKeyAGMIHOUWBHDRSN-UHFFFAOYSA-N
XLogP4.03
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 113085985
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113086017
N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31956483
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 113211872
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 91833579
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 113211934
2-(4-chlorophenyl)-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 113085910
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(5-chloro-2-methylphenyl)acetamide
CID 113212020
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113212039
(2S,3R,4S)-1-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-4-(4-fluorophenyl)-3-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 155987788
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-methyl-N-phenylacetamide
CID 113212000

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide (CID 113211952) is 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide is Cc1[nH]c2ccc(Cl)cc2c1CC(=O)NCCc1ccccc1.
What is the InChIKey of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is AGMIHOUWBHDRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-13-16(17-11-15(20)7-8-18(17)22-13)12-19(23)21-10-9-14-5-3-2-4-6-14/h2-8,11,22H,9-10,12H2,1H3,(H,21,23).
What are the key properties of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide?
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 326.83 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 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-(2-phenylethyl)acetamide is sourced from PubChem (CID 113211952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).