2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide

C18H17ClN2O2 — CID 39351923

IUPAC2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cn1ccc2cc(Cl)ccc21
InChIInChI=1S/C18H17ClN2O2/c1-23-17-5-3-2-4-14(17)11-20-18(22)12-21-9-8-13-10-15(19)6-7-16(13)21/h2-10H,11-12H2,1H3,(H,20,22)
InChIKeyGUSMIKYJNBWJJF-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.62
Rot. Bonds5

About 2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide

2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 39351923) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID39351923
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cn1ccc2cc(Cl)ccc21
InChIInChI=1S/C18H17ClN2O2/c1-23-17-5-3-2-4-14(17)11-20-18(22)12-21-9-8-13-10-15(19)6-7-16(13)21/h2-10H,11-12H2,1H3,(H,20,22)
InChIKeyGUSMIKYJNBWJJF-UHFFFAOYSA-N
XLogP3.62
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-(1-oxoisoquinolin-2-yl)acetamide
CID 4171042
2-(6-chloroindol-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 110908781
2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide
CID 39349235
2-(6-chloro-4-oxoquinolin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 100734816
2-(6-chloro-4-oxoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 100734852
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 71848842
2-(5-chloroindol-1-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide
CID 39336499
2-[2-[[(2-indol-1-ylacetyl)amino]methyl]phenoxy]acetic acid
CID 71915489
[2-[[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 9069508
2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone
CID 63878855
2-(5-iodo-3-methyl-2-oxo-1-pyridinyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 71909112
2-(6-chloroindol-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55997984

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide (CID 39351923) is 2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)Cn1ccc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is GUSMIKYJNBWJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-23-17-5-3-2-4-14(17)11-20-18(22)12-21-9-8-13-10-15(19)6-7-16(13)21/h2-10H,11-12H2,1H3,(H,20,22).
What are the key properties of 2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 328.80 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 39351923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).