2-(6-chloro-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide

C18H17ClN2O2 — CID 113209736

IUPAC2-(6-chloro-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C18H17ClN2O2/c1-23-17-5-3-2-4-12(17)10-21-18(22)8-13-11-20-16-9-14(19)6-7-15(13)16/h2-7,9,11,20H,8,10H2,1H3,(H,21,22)
InChIKeyQDFYFMFWDKATPH-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.69
Rot. Bonds5

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

2-(6-chloro-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 113209736) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID113209736
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-(6-chloro-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C18H17ClN2O2/c1-23-17-5-3-2-4-12(17)10-21-18(22)8-13-11-20-16-9-14(19)6-7-15(13)16/h2-7,9,11,20H,8,10H2,1H3,(H,21,22)
InChIKeyQDFYFMFWDKATPH-UHFFFAOYSA-N
XLogP3.69
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113209743
2-(6-chloro-1H-indol-3-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113209744
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568
2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110767041
2-[(6-chloro-1H-indol-3-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115590337
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2629966
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-carboxamide
CID 113206366
2-(5-chloro-2-methoxyphenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 9069509
[2-[[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 9069508

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide (CID 113209736) is 2-(6-chloro-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)Cc1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is QDFYFMFWDKATPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-23-17-5-3-2-4-12(17)10-21-18(22)8-13-11-20-16-9-14(19)6-7-15(13)16/h2-7,9,11,20H,8,10H2,1H3,(H,21,22).
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(6-chloro-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 328.80 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 113209736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).