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

C20H21ClN2O3 — CID 113086011

IUPACN-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2c(C)[nH]c3ccc(Cl)cc23)cc1OC
InChIInChI=1S/C20H21ClN2O3/c1-12-15(16-11-14(21)5-6-17(16)23-12)8-9-22-20(24)13-4-7-18(25-2)19(10-13)26-3/h4-7,10-11,23H,8-9H2,1-3H3,(H,22,24)
InChIKeyBXBIIVFWLVESSA-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.12
Rot. Bonds6

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

N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide (PubChem CID 113086011) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
PubChem CID113086011
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC NameN-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2c(C)[nH]c3ccc(Cl)cc23)cc1OC
InChIInChI=1S/C20H21ClN2O3/c1-12-15(16-11-14(21)5-6-17(16)23-12)8-9-22-20(24)13-4-7-18(25-2)19(10-13)26-3/h4-7,10-11,23H,8-9H2,1-3H3,(H,22,24)
InChIKeyBXBIIVFWLVESSA-UHFFFAOYSA-N
XLogP4.12
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide 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

4-bromo-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086005
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113086017
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 72842739
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 113085985
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 113086198
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]oxane-4-carboxamide
CID 113086044
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide;hydrochloride
CID 155515939
2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086116
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 45497559
(3R)-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxolane-3-carboxamide
CID 124852403
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide
CID 113086047

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide (CID 113086011) is N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCc2c(C)[nH]c3ccc(Cl)cc23)cc1OC.
What is the InChIKey of N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide?
The InChIKey is BXBIIVFWLVESSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-12-15(16-11-14(21)5-6-17(16)23-12)8-9-22-20(24)13-4-7-18(25-2)19(10-13)26-3/h4-7,10-11,23H,8-9H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide?
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide has a molecular weight of 372.85 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 113086011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).