3-(4-chlorophenyl)-N-(1,3-dioxoisoindol-2-yl)propanamide

C17H13ClN2O3 — CID 10925510

IUPAC3-(4-chlorophenyl)-N-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H13ClN2O3/c18-12-8-5-11(6-9-12)7-10-15(21)19-20-16(22)13-3-1-2-4-14(13)17(20)23/h1-6,8-9H,7,10H2,(H,19,21)
InChIKeyFJUVLICODRBINO-UHFFFAOYSA-N
MW328.75 g/mol
LogP2.60
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(1,3-dioxoisoindol-2-yl)propanamide

3-(4-chlorophenyl)-N-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 10925510) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID10925510
Molecular FormulaC17H13ClN2O3
Molecular Weight328.75 g/mol
Exact Mass328.06
IUPAC Name3-(4-chlorophenyl)-N-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H13ClN2O3/c18-12-8-5-11(6-9-12)7-10-15(21)19-20-16(22)13-3-1-2-4-14(13)17(20)23/h1-6,8-9H,7,10H2,(H,19,21)
InChIKeyFJUVLICODRBINO-UHFFFAOYSA-N
XLogP2.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 52.60
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-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanamide
CID 11066794
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108542670
N-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 142645113
N-(1,3-dioxoisoindol-2-yl)octanamide
CID 11173742
N-(1,3-dioxoisoindol-2-yl)-3,3,3-trifluoropropanamide
CID 53484393
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19283649
N'-(4-chlorophenyl)-3-phenylpropanehydrazide
CID 2812571
3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide
CID 41499879
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2596919
N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 51949788
3-(4-chlorophenyl)-N-pentan-3-ylpropanamide
CID 94500233
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(1,3-dioxoisoindol-2-yl)propanamide (CID 10925510) is 3-(4-chlorophenyl)-N-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(1,3-dioxoisoindol-2-yl)propanamide is O=C(CCc1ccc(Cl)cc1)NN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-(4-chlorophenyl)-N-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is FJUVLICODRBINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c18-12-8-5-11(6-9-12)7-10-15(21)19-20-16(22)13-3-1-2-4-14(13)17(20)23/h1-6,8-9H,7,10H2,(H,19,21).
What are the key properties of 3-(4-chlorophenyl)-N-(1,3-dioxoisoindol-2-yl)propanamide?
3-(4-chlorophenyl)-N-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 328.75 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 10925510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).