2-(2,5-dichlorophenoxy)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide

C18H16Cl2N2O3 — CID 110615297

IUPAC2-(2,5-dichlorophenoxy)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H16Cl2N2O3/c19-13-5-6-14(20)16(9-13)25-11-17(23)21-10-18(24)22-8-7-12-3-1-2-4-15(12)22/h1-6,9H,7-8,10-11H2,(H,21,23)
InChIKeyHKZLDOCJRMSXMW-UHFFFAOYSA-N
MW379.24 g/mol
LogP3.08
Rot. Bonds5

About 2-(2,5-dichlorophenoxy)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide

2-(2,5-dichlorophenoxy)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide (PubChem CID 110615297) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
PubChem CID110615297
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Name2-(2,5-dichlorophenoxy)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H16Cl2N2O3/c19-13-5-6-14(20)16(9-13)25-11-17(23)21-10-18(24)22-8-7-12-3-1-2-4-15(12)22/h1-6,9H,7-8,10-11H2,(H,21,23)
InChIKeyHKZLDOCJRMSXMW-UHFFFAOYSA-N
XLogP3.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 823401
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(2-ethoxyphenoxy)acetohydrazide
CID 4599962
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779587
4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride
CID 119315166
2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 9098782
2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 26507089
7-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]heptanamide
CID 119769035
N-[2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110673378
2-(2-chlorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 134026861
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110370754
2-(3-bromophenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 112996350

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide (CID 110615297) is 2-(2,5-dichlorophenoxy)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide is O=C(COc1cc(Cl)ccc1Cl)NCC(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide?
The InChIKey is HKZLDOCJRMSXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c19-13-5-6-14(20)16(9-13)25-11-17(23)21-10-18(24)22-8-7-12-3-1-2-4-15(12)22/h1-6,9H,7-8,10-11H2,(H,21,23).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide?
2-(2,5-dichlorophenoxy)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide has a molecular weight of 379.24 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 110615297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).