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

C21H23ClN2O — CID 113085686

IUPAC2-(4-chlorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide
SMILESCc1[nH]c2ccccc2c1C(C)(C)CNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O/c1-14-20(17-6-4-5-7-18(17)24-14)21(2,3)13-23-19(25)12-15-8-10-16(22)11-9-15/h4-11,24H,12-13H2,1-3H3,(H,23,25)
InChIKeyVJIVITYGLPHRMZ-UHFFFAOYSA-N
MW354.88 g/mol
LogP4.77
Rot. Bonds5

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

2-(4-chlorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide (PubChem CID 113085686) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide
PubChem CID113085686
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC Name2-(4-chlorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide
SMILESCc1[nH]c2ccccc2c1C(C)(C)CNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O/c1-14-20(17-6-4-5-7-18(17)24-14)21(2,3)13-23-19(25)12-15-8-10-16(22)11-9-15/h4-11,24H,12-13H2,1-3H3,(H,23,25)
InChIKeyVJIVITYGLPHRMZ-UHFFFAOYSA-N
XLogP4.77
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-2-phenylacetamide
CID 113085684
2-(3-fluorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide
CID 113085706
N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-3-phenylpropanamide
CID 113085688
4-bromo-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide
CID 113085673
3-methoxy-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide
CID 113085675
N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 113084102
2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110146
2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide
CID 110663977
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 103772449
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 12758173
2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]acetonitrile
CID 115131519
N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzenesulfonamide
CID 113085726

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide (CID 113085686) is 2-(4-chlorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide is Cc1[nH]c2ccccc2c1C(C)(C)CNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide?
The InChIKey is VJIVITYGLPHRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O/c1-14-20(17-6-4-5-7-18(17)24-14)21(2,3)13-23-19(25)12-15-8-10-16(22)11-9-15/h4-11,24H,12-13H2,1-3H3,(H,23,25).
What are the key properties of 2-(4-chlorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide?
2-(4-chlorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide has a molecular weight of 354.88 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide is sourced from PubChem (CID 113085686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).