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

C18H16Cl2N2O — CID 113212020

IUPAC2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(5-chloro-2-methylphenyl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cc1c(C)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H16Cl2N2O/c1-10-3-4-13(20)8-17(10)22-18(23)9-14-11(2)21-16-6-5-12(19)7-15(14)16/h3-8,21H,9H2,1-2H3,(H,22,23)
InChIKeyUVSSGFRKUMNBFH-UHFFFAOYSA-N
MW347.25 g/mol
LogP5.27
Rot. Bonds3

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

2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(5-chloro-2-methylphenyl)acetamide (PubChem CID 113212020) has the molecular formula C18H16Cl2N2O and a molecular weight of 347.25 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(5-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(5-chloro-2-methylphenyl)acetamide
PubChem CID113212020
Molecular FormulaC18H16Cl2N2O
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(5-chloro-2-methylphenyl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cc1c(C)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H16Cl2N2O/c1-10-3-4-13(20)8-17(10)22-18(23)9-14-11(2)21-16-6-5-12(19)7-15(14)16/h3-8,21H,9H2,1-2H3,(H,22,23)
InChIKeyUVSSGFRKUMNBFH-UHFFFAOYSA-N
XLogP5.27
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.25
LogP ≤ 55.27
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

2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113212039
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide
CID 113212078
N-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide
CID 113212058
methyl 4-[[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]amino]benzoate
CID 113212048
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 113211952
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212246
N-(2,3-dichlorophenyl)-2-(2,5-dimethyl-1H-indol-3-yl)acetamide
CID 113212316
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 113085985
N-(5-chloro-2-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 808427
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-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505165

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(5-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(5-chloro-2-methylphenyl)acetamide (CID 113212020) is 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(5-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(5-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(5-chloro-2-methylphenyl)acetamide is Cc1ccc(Cl)cc1NC(=O)Cc1c(C)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(5-chloro-2-methylphenyl)acetamide?
The InChIKey is UVSSGFRKUMNBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O/c1-10-3-4-13(20)8-17(10)22-18(23)9-14-11(2)21-16-6-5-12(19)7-15(14)16/h3-8,21H,9H2,1-2H3,(H,22,23).
What are the key properties of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(5-chloro-2-methylphenyl)acetamide?
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(5-chloro-2-methylphenyl)acetamide has a molecular weight of 347.25 g/mol, XLogP of 5.27, 3 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-(5-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 113212020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).