3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yloxyphenyl)propanamide

C20H19ClN2O4 — CID 113202209

IUPAC3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccccc1NC(=O)CCN1C(=O)c2cccc(Cl)c2C1=O
InChIInChI=1S/C20H19ClN2O4/c1-12(2)27-16-9-4-3-8-15(16)22-17(24)10-11-23-19(25)13-6-5-7-14(21)18(13)20(23)26/h3-9,12H,10-11H2,1-2H3,(H,22,24)
InChIKeyPDQLXNMNDGATNF-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.75
Rot. Bonds6

About 3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yloxyphenyl)propanamide

3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yloxyphenyl)propanamide (PubChem CID 113202209) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yloxyphenyl)propanamide
PubChem CID113202209
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccccc1NC(=O)CCN1C(=O)c2cccc(Cl)c2C1=O
InChIInChI=1S/C20H19ClN2O4/c1-12(2)27-16-9-4-3-8-15(16)22-17(24)10-11-23-19(25)13-6-5-7-14(21)18(13)20(23)26/h3-9,12H,10-11H2,1-2H3,(H,22,24)
InChIKeyPDQLXNMNDGATNF-UHFFFAOYSA-N
XLogP3.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-chlorophenyl)acetamide
CID 113201368
N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954883
N-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 9146166
N-butyl-3-(4-chloro-1,3-dioxoisoindol-2-yl)propanamide
CID 113202097
2-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54812884
N-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 7290099
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)acetamide
CID 113201371
N-[(2-chlorophenyl)methyl]-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108946630
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113201411
3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113202138
3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113202215
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yloxyphenyl)propanamide (CID 113202209) is 3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccccc1NC(=O)CCN1C(=O)c2cccc(Cl)c2C1=O.
What is the InChIKey of 3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yloxyphenyl)propanamide?
The InChIKey is PDQLXNMNDGATNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-12(2)27-16-9-4-3-8-15(16)22-17(24)10-11-23-19(25)13-6-5-7-14(21)18(13)20(23)26/h3-9,12H,10-11H2,1-2H3,(H,22,24).
What are the key properties of 3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yloxyphenyl)propanamide?
3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yloxyphenyl)propanamide has a molecular weight of 386.84 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 113202209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).