3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-difluorophenyl)propanamide

C17H11ClF2N2O3 — CID 113202399

IUPAC3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-difluorophenyl)propanamide
SMILESO=C(CCN1C(=O)c2ccc(Cl)cc2C1=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H11ClF2N2O3/c18-9-1-3-11-12(7-9)17(25)22(16(11)24)6-5-15(23)21-10-2-4-13(19)14(20)8-10/h1-4,7-8H,5-6H2,(H,21,23)
InChIKeyQJOCCWKCFKJRNT-UHFFFAOYSA-N
MW364.74 g/mol
LogP3.24
Rot. Bonds4

About 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-difluorophenyl)propanamide

3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-difluorophenyl)propanamide (PubChem CID 113202399) has the molecular formula C17H11ClF2N2O3 and a molecular weight of 364.74 g/mol. Its IUPAC name is 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-difluorophenyl)propanamide
PubChem CID113202399
Molecular FormulaC17H11ClF2N2O3
Molecular Weight364.74 g/mol
Exact Mass364.04
IUPAC Name3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-difluorophenyl)propanamide
SMILESO=C(CCN1C(=O)c2ccc(Cl)cc2C1=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H11ClF2N2O3/c18-9-1-3-11-12(7-9)17(25)22(16(11)24)6-5-15(23)21-10-2-4-13(19)14(20)8-10/h1-4,7-8H,5-6H2,(H,21,23)
InChIKeyQJOCCWKCFKJRNT-UHFFFAOYSA-N
XLogP3.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.74
LogP ≤ 53.24
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-fluorophenyl)propanamide
CID 113202381
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 113202338
N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 9210364
N-(5-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 2664572
N-(4-chlorophenyl)-3-(5-nitro-1,3-dioxoisoindol-2-yl)propanamide
CID 17297181
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113202368
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113202301
N-(3,4-difluorophenyl)-3-pyrrol-1-ylpropanamide
CID 110688754
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(dimethylamino)ethyl]propanamide
CID 113202264
N-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 28867517
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-dimethylphenyl)acetamide
CID 113201521

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-difluorophenyl)propanamide (CID 113202399) is 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-difluorophenyl)propanamide is O=C(CCN1C(=O)c2ccc(Cl)cc2C1=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-difluorophenyl)propanamide?
The InChIKey is QJOCCWKCFKJRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N2O3/c18-9-1-3-11-12(7-9)17(25)22(16(11)24)6-5-15(23)21-10-2-4-13(19)14(20)8-10/h1-4,7-8H,5-6H2,(H,21,23).
What are the key properties of 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-difluorophenyl)propanamide?
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-difluorophenyl)propanamide has a molecular weight of 364.74 g/mol, XLogP of 3.24, 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-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 113202399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).