N-[1-(2-chlorophenyl)ethyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide

C20H21ClN2O — CID 46588719

IUPACN-[1-(2-chlorophenyl)ethyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide
SMILESCc1ccc2[nH]c(C)c(CC(=O)NC(C)c3ccccc3Cl)c2c1
InChIInChI=1S/C20H21ClN2O/c1-12-8-9-19-17(10-12)16(14(3)22-19)11-20(24)23-13(2)15-6-4-5-7-18(15)21/h4-10,13,22H,11H2,1-3H3,(H,23,24)
InChIKeyIDVCIPPAQUBTED-UHFFFAOYSA-N
MW340.85 g/mol
LogP4.86
Rot. Bonds4

About N-[1-(2-chlorophenyl)ethyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide

N-[1-(2-chlorophenyl)ethyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide (PubChem CID 46588719) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide
PubChem CID46588719
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide
SMILESCc1ccc2[nH]c(C)c(CC(=O)NC(C)c3ccccc3Cl)c2c1
InChIInChI=1S/C20H21ClN2O/c1-12-8-9-19-17(10-12)16(14(3)22-19)11-20(24)23-13(2)15-6-4-5-7-18(15)21/h4-10,13,22H,11H2,1-3H3,(H,23,24)
InChIKeyIDVCIPPAQUBTED-UHFFFAOYSA-N
XLogP4.86
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.86
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-(2,5-dimethyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505044
methyl 4-chloro-3-[[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]amino]benzoate
CID 113212303
2-(2,5-dimethyl-1H-indol-3-yl)-N-[(Z)-[(3S)-3-hydroxybutan-2-ylidene]amino]acetamide
CID 7317749
2-(2-chlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 17327434
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 38764960
N-[1-(2-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide
CID 24543941
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 51935996
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
2-(3-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 62499997
N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 81042798

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide (CID 46588719) is N-[1-(2-chlorophenyl)ethyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide is Cc1ccc2[nH]c(C)c(CC(=O)NC(C)c3ccccc3Cl)c2c1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide?
The InChIKey is IDVCIPPAQUBTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c1-12-8-9-19-17(10-12)16(14(3)22-19)11-20(24)23-13(2)15-6-4-5-7-18(15)21/h4-10,13,22H,11H2,1-3H3,(H,23,24).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide?
N-[1-(2-chlorophenyl)ethyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide has a molecular weight of 340.85 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 46588719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).