N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide

C20H21ClN2O2 — CID 113086017

IUPACN-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCc2c(C)[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C20H21ClN2O2/c1-13-17(18-12-15(21)5-8-19(18)23-13)9-10-22-20(24)11-14-3-6-16(25-2)7-4-14/h3-8,12,23H,9-11H2,1-2H3,(H,22,24)
InChIKeyNKIIRNXTVWMCPS-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.04
Rot. Bonds6

About N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide

N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 113086017) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID113086017
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC NameN-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCc2c(C)[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C20H21ClN2O2/c1-13-17(18-12-15(21)5-8-19(18)23-13)9-10-22-20(24)11-14-3-6-16(25-2)7-4-14/h3-8,12,23H,9-11H2,1-2H3,(H,22,24)
InChIKeyNKIIRNXTVWMCPS-UHFFFAOYSA-N
XLogP4.04
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 113085910
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 113085985
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 113211952
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 91833579
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 113086011
2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086116
2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086126
4-bromo-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086005
N-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212129
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 113086198
3-(5-chloro-1H-indol-3-yl)-N-[3-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]propyl]propanamide
CID 71816540
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide
CID 113086048

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide (CID 113086017) is N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCCc2c(C)[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is NKIIRNXTVWMCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-13-17(18-12-15(21)5-8-19(18)23-13)9-10-22-20(24)11-14-3-6-16(25-2)7-4-14/h3-8,12,23H,9-11H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide?
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 356.85 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 113086017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).