N-(2-chlorophenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide

C18H15ClN2O3 — CID 9032090

IUPACN-(2-chlorophenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide
SMILESO=C(CCN1C(=O)Cc2ccccc2C1=O)Nc1ccccc1Cl
InChIInChI=1S/C18H15ClN2O3/c19-14-7-3-4-8-15(14)20-16(22)9-10-21-17(23)11-12-5-1-2-6-13(12)18(21)24/h1-8H,9-11H2,(H,20,22)
InChIKeyJNJOGNTYFBMSSZ-UHFFFAOYSA-N
MW342.78 g/mol
LogP2.89
Rot. Bonds4

About N-(2-chlorophenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide

N-(2-chlorophenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide (PubChem CID 9032090) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide
PubChem CID9032090
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC NameN-(2-chlorophenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide
SMILESO=C(CCN1C(=O)Cc2ccccc2C1=O)Nc1ccccc1Cl
InChIInChI=1S/C18H15ClN2O3/c19-14-7-3-4-8-15(14)20-16(22)9-10-21-17(23)11-12-5-1-2-6-13(12)18(21)24/h1-8H,9-11H2,(H,20,22)
InChIKeyJNJOGNTYFBMSSZ-UHFFFAOYSA-N
XLogP2.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide
CID 9270936
3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(3-methylphenyl)propanamide
CID 9039113
N-(3-bromophenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide
CID 9191641
N-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 9146166
2-(3-oxobutyl)-4H-isoquinoline-1,3-dione
CID 55211630
1-[3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoylamino]-3-(2-fluorophenyl)thiourea
CID 9278319
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide
CID 9192706
N-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 7290099
N-(2-chlorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
CID 17035040
N-(2-chlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]acetamide
CID 2079379
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-chlorophenyl)acetamide
CID 113201368
1-[3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoylamino]-3-(4-fluorophenyl)thiourea
CID 9317894

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide (CID 9032090) is N-(2-chlorophenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide is O=C(CCN1C(=O)Cc2ccccc2C1=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide?
The InChIKey is JNJOGNTYFBMSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c19-14-7-3-4-8-15(14)20-16(22)9-10-21-17(23)11-12-5-1-2-6-13(12)18(21)24/h1-8H,9-11H2,(H,20,22).
What are the key properties of N-(2-chlorophenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide?
N-(2-chlorophenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide has a molecular weight of 342.78 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide is sourced from PubChem (CID 9032090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).