N-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide

C17H12Cl2N2O3 — CID 7290099

IUPACN-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H12Cl2N2O3/c18-12-6-3-7-13(19)15(12)20-14(22)8-9-21-16(23)10-4-1-2-5-11(10)17(21)24/h1-7H,8-9H2,(H,20,22)
InChIKeyROGXRUVPAVRGDC-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.62
Rot. Bonds4

About N-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide

N-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 7290099) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID7290099
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC NameN-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H12Cl2N2O3/c18-12-6-3-7-13(19)15(12)20-14(22)8-9-21-16(23)10-4-1-2-5-11(10)17(21)24/h1-7H,8-9H2,(H,20,22)
InChIKeyROGXRUVPAVRGDC-UHFFFAOYSA-N
XLogP3.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.62
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-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 9146166
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 723292
3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
N-(5-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 2664572
N-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 28867517
N-(4-anilinophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1301535
3-(3-aminoazetidin-1-yl)-N-(2,6-dichlorophenyl)propanamide
CID 65249558
N-(3-chloro-2,6-diethylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16593772
N-(2-chlorophenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide
CID 9032090
3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 113202209
(2,6-dichlorophenyl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 3379267

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 7290099) is N-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is ROGXRUVPAVRGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c18-12-6-3-7-13(19)15(12)20-14(22)8-9-21-16(23)10-4-1-2-5-11(10)17(21)24/h1-7H,8-9H2,(H,20,22).
What are the key properties of N-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 363.20 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 7290099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).