N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide

C17H15ClN2O — CID 31856117

IUPACN-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2O/c1-11-15(14-7-2-3-8-16(14)19-11)10-17(21)20-13-6-4-5-12(18)9-13/h2-9,19H,10H2,1H3,(H,20,21)
InChIKeyVSMZCMDMCORPMG-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.31
Rot. Bonds3

About N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide

N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide (PubChem CID 31856117) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
PubChem CID31856117
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC NameN-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2O/c1-11-15(14-7-2-3-8-16(14)19-11)10-17(21)20-13-6-4-5-12(18)9-13/h2-9,19H,10H2,1H3,(H,20,21)
InChIKeyVSMZCMDMCORPMG-UHFFFAOYSA-N
XLogP4.31
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide
CID 113212058
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 46589603
2-(2-methyl-1H-indol-3-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 31996620
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide
CID 113212078
N-(2-hydroxyphenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31984043
2-(2-methyl-1H-indol-3-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 31903883
2-(2-methyl-1H-indol-3-yl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 32534114
2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]acetamide
CID 131933787
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide
CID 113212201
4-chloro-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide
CID 31899293
2-(2-methyl-1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 113211384
methyl 4-[[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]amino]benzoate
CID 113212048

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide (CID 31856117) is N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide is Cc1[nH]c2ccccc2c1CC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is VSMZCMDMCORPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11-15(14-7-2-3-8-16(14)19-11)10-17(21)20-13-6-4-5-12(18)9-13/h2-9,19H,10H2,1H3,(H,20,21).
What are the key properties of N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 298.77 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 31856117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).