N-[2-(4,6,7-trichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide

C13H13Cl3N2O2 — CID 58952589

IUPACN-[2-(4,6,7-trichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1c(Cl)c(Cl)c2[nH]cc(CCNC(C)=O)c2c1Cl
InChIInChI=1S/C13H13Cl3N2O2/c1-6(19)17-4-3-7-5-18-12-8(7)9(14)13(20-2)11(16)10(12)15/h5,18H,3-4H2,1-2H3,(H,17,19)
InChIKeyPSEIWWSDBWHZTK-UHFFFAOYSA-N
MW335.62 g/mol
LogP3.82
Rot. Bonds4

About N-[2-(4,6,7-trichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide

N-[2-(4,6,7-trichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide (PubChem CID 58952589) has the molecular formula C13H13Cl3N2O2 and a molecular weight of 335.62 g/mol. Its IUPAC name is N-[2-(4,6,7-trichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4,6,7-trichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
PubChem CID58952589
Molecular FormulaC13H13Cl3N2O2
Molecular Weight335.62 g/mol
Exact Mass334.00
IUPAC NameN-[2-(4,6,7-trichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1c(Cl)c(Cl)c2[nH]cc(CCNC(C)=O)c2c1Cl
InChIInChI=1S/C13H13Cl3N2O2/c1-6(19)17-4-3-7-5-18-12-8(7)9(14)13(20-2)11(16)10(12)15/h5,18H,3-4H2,1-2H3,(H,17,19)
InChIKeyPSEIWWSDBWHZTK-UHFFFAOYSA-N
XLogP3.82
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.62
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[2-(4,6,7-trichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4,6-difluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 610660
N-[2-(4,6-dichloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(4,6-dichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 158773129
N-[2-(7-chloro-6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]acetamide;N-[2-(6,7-dichloro-5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 67703123
N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide
CID 167080571
[3-(2-acetamidoethyl)-1H-indol-7-yl] acetate
CID 169222521
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 87897806
N-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide
CID 162744824
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide
CID 110788808
N-[2-(7-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide
CID 563604
[3-(2-acetamidoethyl)-1H-indol-6-yl] acetate
CID 169222411
N-[2-[7-(1-acetamidoethyl)-5-cyano-1H-indol-3-yl]ethyl]acetamide
CID 154705581

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6,7-trichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(4,6,7-trichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide (CID 58952589) is N-[2-(4,6,7-trichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4,6,7-trichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(4,6,7-trichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide is COc1c(Cl)c(Cl)c2[nH]cc(CCNC(C)=O)c2c1Cl.
What is the InChIKey of N-[2-(4,6,7-trichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is PSEIWWSDBWHZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl3N2O2/c1-6(19)17-4-3-7-5-18-12-8(7)9(14)13(20-2)11(16)10(12)15/h5,18H,3-4H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(4,6,7-trichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
N-[2-(4,6,7-trichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 335.62 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6,7-trichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 58952589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).