N-(2-chlorophenyl)-2-[3-(2-methylpropanoyl)indol-1-yl]acetamide

C20H19ClN2O2 — CID 3157256

IUPACN-(2-chlorophenyl)-2-[3-(2-methylpropanoyl)indol-1-yl]acetamide
SMILESCC(C)C(=O)c1cn(CC(=O)Nc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C20H19ClN2O2/c1-13(2)20(25)15-11-23(18-10-6-3-7-14(15)18)12-19(24)22-17-9-5-4-8-16(17)21/h3-11,13H,12H2,1-2H3,(H,22,24)
InChIKeyPOOXSFDRNHSDLF-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.77
Rot. Bonds5

About N-(2-chlorophenyl)-2-[3-(2-methylpropanoyl)indol-1-yl]acetamide

N-(2-chlorophenyl)-2-[3-(2-methylpropanoyl)indol-1-yl]acetamide (PubChem CID 3157256) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[3-(2-methylpropanoyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[3-(2-methylpropanoyl)indol-1-yl]acetamide
PubChem CID3157256
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC NameN-(2-chlorophenyl)-2-[3-(2-methylpropanoyl)indol-1-yl]acetamide
SMILESCC(C)C(=O)c1cn(CC(=O)Nc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C20H19ClN2O2/c1-13(2)20(25)15-11-23(18-10-6-3-7-14(15)18)12-19(24)22-17-9-5-4-8-16(17)21/h3-11,13H,12H2,1-2H3,(H,22,24)
InChIKeyPOOXSFDRNHSDLF-UHFFFAOYSA-N
XLogP4.77
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-methylpropanoyl)indol-1-yl]-N-naphthalen-2-ylacetamide
CID 21373971
N-(2-fluorophenyl)-2-(3-propanoylindol-1-yl)acetamide
CID 955255
N-(2-chlorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292664
methyl 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]indole-3-carboxylate
CID 34232696
methyl 2-[[2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate
CID 20911257
methyl 1-[2-oxo-2-[2-(pyrrolidine-1-carbonyl)anilino]ethyl]indole-3-carboxylate
CID 46419706
2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide
CID 2953381
N-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 5303659
N-(2,3-dichlorophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560764
N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-[3-(2-methylpropanoyl)indol-1-yl]acetamide
CID 95081109
2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 4114472
2-[3-(furan-2-carbonyl)indol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2975165

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[3-(2-methylpropanoyl)indol-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[3-(2-methylpropanoyl)indol-1-yl]acetamide (CID 3157256) is N-(2-chlorophenyl)-2-[3-(2-methylpropanoyl)indol-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[3-(2-methylpropanoyl)indol-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[3-(2-methylpropanoyl)indol-1-yl]acetamide is CC(C)C(=O)c1cn(CC(=O)Nc2ccccc2Cl)c2ccccc12.
What is the InChIKey of N-(2-chlorophenyl)-2-[3-(2-methylpropanoyl)indol-1-yl]acetamide?
The InChIKey is POOXSFDRNHSDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-13(2)20(25)15-11-23(18-10-6-3-7-14(15)18)12-19(24)22-17-9-5-4-8-16(17)21/h3-11,13H,12H2,1-2H3,(H,22,24).
What are the key properties of N-(2-chlorophenyl)-2-[3-(2-methylpropanoyl)indol-1-yl]acetamide?
N-(2-chlorophenyl)-2-[3-(2-methylpropanoyl)indol-1-yl]acetamide has a molecular weight of 354.84 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[3-(2-methylpropanoyl)indol-1-yl]acetamide is sourced from PubChem (CID 3157256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).