2-[(6-chloro-1H-indol-3-yl)methylamino]-N-(2-methoxyethyl)acetamide

C14H18ClN3O2 — CID 115590337

IUPAC2-[(6-chloro-1H-indol-3-yl)methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C14H18ClN3O2/c1-20-5-4-17-14(19)9-16-7-10-8-18-13-6-11(15)2-3-12(10)13/h2-3,6,8,16,18H,4-5,7,9H2,1H3,(H,17,19)
InChIKeyFJXMMXAWLZPOOP-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.67
Rot. Bonds7

About 2-[(6-chloro-1H-indol-3-yl)methylamino]-N-(2-methoxyethyl)acetamide

2-[(6-chloro-1H-indol-3-yl)methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 115590337) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[(6-chloro-1H-indol-3-yl)methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-1H-indol-3-yl)methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID115590337
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-[(6-chloro-1H-indol-3-yl)methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C14H18ClN3O2/c1-20-5-4-17-14(19)9-16-7-10-8-18-13-6-11(15)2-3-12(10)13/h2-3,6,8,16,18H,4-5,7,9H2,1H3,(H,17,19)
InChIKeyFJXMMXAWLZPOOP-UHFFFAOYSA-N
XLogP1.67
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 113229720
N-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 78974959
2-(6-chloro-1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113209743
2-(6-chloro-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 113209736
2-(6-chloro-1H-indol-3-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113209744
2-[(3,5-dichlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 112685455
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 124607872
N-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine
CID 102695801
2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide
CID 110700233
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908353
4-chloro-2-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115577293

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-indol-3-yl)methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(6-chloro-1H-indol-3-yl)methylamino]-N-(2-methoxyethyl)acetamide (CID 115590337) is 2-[(6-chloro-1H-indol-3-yl)methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-1H-indol-3-yl)methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(6-chloro-1H-indol-3-yl)methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNCc1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 2-[(6-chloro-1H-indol-3-yl)methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is FJXMMXAWLZPOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-20-5-4-17-14(19)9-16-7-10-8-18-13-6-11(15)2-3-12(10)13/h2-3,6,8,16,18H,4-5,7,9H2,1H3,(H,17,19).
What are the key properties of 2-[(6-chloro-1H-indol-3-yl)methylamino]-N-(2-methoxyethyl)acetamide?
2-[(6-chloro-1H-indol-3-yl)methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 295.77 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1H-indol-3-yl)methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 115590337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).