2-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide

C19H16Cl2N2O3 — CID 24760072

IUPAC2-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Nc1cccc2c(=O)n(CCO)ccc12
InChIInChI=1S/C19H16Cl2N2O3/c20-15-5-4-12(10-16(15)21)11-18(25)22-17-3-1-2-14-13(17)6-7-23(8-9-24)19(14)26/h1-7,10,24H,8-9,11H2,(H,22,25)
InChIKeyYHAZNLKCMZRNDC-UHFFFAOYSA-N
MW391.25 g/mol
LogP3.48
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide

2-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide (PubChem CID 24760072) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide
PubChem CID24760072
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC Name2-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Nc1cccc2c(=O)n(CCO)ccc12
InChIInChI=1S/C19H16Cl2N2O3/c20-15-5-4-12(10-16(15)21)11-18(25)22-17-3-1-2-14-13(17)6-7-23(8-9-24)19(14)26/h1-7,10,24H,8-9,11H2,(H,22,25)
InChIKeyYHAZNLKCMZRNDC-UHFFFAOYSA-N
XLogP3.48
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide (CID 24760072) is 2-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cccc2c(=O)n(CCO)ccc12.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide?
The InChIKey is YHAZNLKCMZRNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c20-15-5-4-12(10-16(15)21)11-18(25)22-17-3-1-2-14-13(17)6-7-23(8-9-24)19(14)26/h1-7,10,24H,8-9,11H2,(H,22,25).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide?
2-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide has a molecular weight of 391.25 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide is sourced from PubChem (CID 24760072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).