2-(4-chloroindol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide

C18H17ClN2O3 — CID 39314339

IUPAC2-(4-chloroindol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2ccc3c(Cl)cccc32)c1
InChIInChI=1S/C18H17ClN2O3/c1-23-12-6-7-17(24-2)15(10-12)20-18(22)11-21-9-8-13-14(19)4-3-5-16(13)21/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyONXBORNYRZJXMD-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.95
Rot. Bonds5

About 2-(4-chloroindol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide

2-(4-chloroindol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 39314339) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 2-(4-chloroindol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloroindol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID39314339
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name2-(4-chloroindol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2ccc3c(Cl)cccc32)c1
InChIInChI=1S/C18H17ClN2O3/c1-23-12-6-7-17(24-2)15(10-12)20-18(22)11-21-9-8-13-14(19)4-3-5-16(13)21/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyONXBORNYRZJXMD-UHFFFAOYSA-N
XLogP3.95
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-(4-chloroindol-1-yl)-1-(2,4-dimethoxyanilino)ethanol
CID 39889978
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47780117
N-(2,5-dimethoxyphenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 3236363
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 2702218
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
2-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)acetamide
CID 839117
N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide
CID 2149356
N-(2-methoxy-5-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)acetamide
CID 84573070
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)propanamide
CID 109038272
N-(3-chloro-4-methoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47779782

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroindol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-chloroindol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide (CID 39314339) is 2-(4-chloroindol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-chloroindol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-chloroindol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)Cn2ccc3c(Cl)cccc32)c1.
What is the InChIKey of 2-(4-chloroindol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is ONXBORNYRZJXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-23-12-6-7-17(24-2)15(10-12)20-18(22)11-21-9-8-13-14(19)4-3-5-16(13)21/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-chloroindol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide?
2-(4-chloroindol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 344.80 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroindol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 39314339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).