2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]-N-(4-methylphenyl)acetamide

C24H21ClN2O — CID 177492325

IUPAC2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2c(-c3cccc(Cl)c3)[nH]c3ccc(C)cc23)cc1
InChIInChI=1S/C24H21ClN2O/c1-15-6-9-19(10-7-15)26-23(28)14-21-20-12-16(2)8-11-22(20)27-24(21)17-4-3-5-18(25)13-17/h3-13,27H,14H2,1-2H3,(H,26,28)
InChIKeyRJMBXKYQBZUNJN-UHFFFAOYSA-N
MW388.90 g/mol
LogP6.29
Rot. Bonds4

About 2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]-N-(4-methylphenyl)acetamide

2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]-N-(4-methylphenyl)acetamide (PubChem CID 177492325) has the molecular formula C24H21ClN2O and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]-N-(4-methylphenyl)acetamide
PubChem CID177492325
Molecular FormulaC24H21ClN2O
Molecular Weight388.90 g/mol
Exact Mass388.13
IUPAC Name2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2c(-c3cccc(Cl)c3)[nH]c3ccc(C)cc23)cc1
InChIInChI=1S/C24H21ClN2O/c1-15-6-9-19(10-7-15)26-23(28)14-21-20-12-16(2)8-11-22(20)27-24(21)17-4-3-5-18(25)13-17/h3-13,27H,14H2,1-2H3,(H,26,28)
InChIKeyRJMBXKYQBZUNJN-UHFFFAOYSA-N
XLogP6.29
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.90
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]acetic acid
CID 4309109
N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31856117
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide
CID 31855827
N-(2,3-dichlorophenyl)-2-(2,5-dimethyl-1H-indol-3-yl)acetamide
CID 113212316
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide
CID 113212078
N-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832794
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-butan-2-yl-2-(3-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 3539679
2-(2,4-dichlorophenyl)-N-(4-methylphenyl)acetamide
CID 2712173
2-[2-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 3263255
2-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)acetamide
CID 2112014

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]-N-(4-methylphenyl)acetamide (CID 177492325) is 2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cc2c(-c3cccc(Cl)c3)[nH]c3ccc(C)cc23)cc1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is RJMBXKYQBZUNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O/c1-15-6-9-19(10-7-15)26-23(28)14-21-20-12-16(2)8-11-22(20)27-24(21)17-4-3-5-18(25)13-17/h3-13,27H,14H2,1-2H3,(H,26,28).
What are the key properties of 2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]-N-(4-methylphenyl)acetamide?
2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 388.90 g/mol, XLogP of 6.29, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 177492325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).