3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)propanamide

C17H12ClFN2O3 — CID 113202381

IUPAC3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)propanamide
SMILESO=C(CCN1C(=O)c2ccc(Cl)cc2C1=O)Nc1cccc(F)c1
InChIInChI=1S/C17H12ClFN2O3/c18-10-4-5-13-14(8-10)17(24)21(16(13)23)7-6-15(22)20-12-3-1-2-11(19)9-12/h1-5,8-9H,6-7H2,(H,20,22)
InChIKeyCUVFYCNJZXORPM-UHFFFAOYSA-N
MW346.75 g/mol
LogP3.10
Rot. Bonds4

About 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)propanamide

3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)propanamide (PubChem CID 113202381) has the molecular formula C17H12ClFN2O3 and a molecular weight of 346.75 g/mol. Its IUPAC name is 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)propanamide
PubChem CID113202381
Molecular FormulaC17H12ClFN2O3
Molecular Weight346.75 g/mol
Exact Mass346.05
IUPAC Name3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)propanamide
SMILESO=C(CCN1C(=O)c2ccc(Cl)cc2C1=O)Nc1cccc(F)c1
InChIInChI=1S/C17H12ClFN2O3/c18-10-4-5-13-14(8-10)17(24)21(16(13)23)7-6-15(22)20-12-3-1-2-11(19)9-12/h1-5,8-9H,6-7H2,(H,20,22)
InChIKeyCUVFYCNJZXORPM-UHFFFAOYSA-N
XLogP3.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.75
LogP ≤ 53.10
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

3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-difluorophenyl)propanamide
CID 113202399
6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide
CID 5023404
N-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 29371362
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 113202338
N-(5-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 2664572
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113202368
3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3-fluorophenyl)propanamide
CID 7900172
N-(4-chlorophenyl)-3-(5-nitro-1,3-dioxoisoindol-2-yl)propanamide
CID 17297181
3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)propanamide
CID 113202778
N-(3-acetamidophenyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
CID 113202807
2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 9250562
3-chloro-N-(3-fluorophenyl)propanamide
CID 3555695

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)propanamide (CID 113202381) is 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)propanamide is O=C(CCN1C(=O)c2ccc(Cl)cc2C1=O)Nc1cccc(F)c1.
What is the InChIKey of 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)propanamide?
The InChIKey is CUVFYCNJZXORPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O3/c18-10-4-5-13-14(8-10)17(24)21(16(13)23)7-6-15(22)20-12-3-1-2-11(19)9-12/h1-5,8-9H,6-7H2,(H,20,22).
What are the key properties of 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)propanamide?
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)propanamide has a molecular weight of 346.75 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 113202381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).