2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(3-methylphenyl)acetamide

C24H21ClN2O — CID 41108967

IUPAC2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1
InChIInChI=1S/C24H21ClN2O/c1-17-5-4-6-21(13-17)26-24(28)14-19-16-27(23-8-3-2-7-22(19)23)15-18-9-11-20(25)12-10-18/h2-13,16H,14-15H2,1H3,(H,26,28)
InChIKeyZLXDEYAITHCLIZ-UHFFFAOYSA-N
MW388.90 g/mol
LogP5.83
Rot. Bonds5

About 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(3-methylphenyl)acetamide

2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(3-methylphenyl)acetamide (PubChem CID 41108967) has the molecular formula C24H21ClN2O and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(3-methylphenyl)acetamide
PubChem CID41108967
Molecular FormulaC24H21ClN2O
Molecular Weight388.90 g/mol
Exact Mass388.13
IUPAC Name2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1
InChIInChI=1S/C24H21ClN2O/c1-17-5-4-6-21(13-17)26-24(28)14-19-16-27(23-8-3-2-7-22(19)23)15-18-9-11-20(25)12-10-18/h2-13,16H,14-15H2,1H3,(H,26,28)
InChIKeyZLXDEYAITHCLIZ-UHFFFAOYSA-N
XLogP5.83
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.90
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide
CID 41108991
(E)-2-cyano-4-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-N-(3-methylphenyl)but-2-enamide
CID 21234654
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 1234677
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-(4-methylphenyl)methanamine
CID 124816345
2-(1-benzylindol-3-yl)-N-methylacetamide
CID 13010553
2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3-chlorophenyl)acetamide
CID 4581043
N-(4-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4192226
ethyl 4-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperazine-1-carboxylate
CID 41108922
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide
CID 41109122
N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide
CID 51178267
N-(5-acetamido-2-methoxyphenyl)-2-(1-benzylindol-3-yl)acetamide
CID 16820622
2-[(5Z)-5-[(1-benzylindol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)acetamide
CID 126366851

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(3-methylphenyl)acetamide (CID 41108967) is 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is ZLXDEYAITHCLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O/c1-17-5-4-6-21(13-17)26-24(28)14-19-16-27(23-8-3-2-7-22(19)23)15-18-9-11-20(25)12-10-18/h2-13,16H,14-15H2,1H3,(H,26,28).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(3-methylphenyl)acetamide?
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 388.90 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 41108967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).