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

C16H9ClF2N2O3 — CID 113201414

IUPAC2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CN1C(=O)c2cccc(Cl)c2C1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H9ClF2N2O3/c17-10-3-1-2-9-14(10)16(24)21(15(9)23)7-13(22)20-12-5-4-8(18)6-11(12)19/h1-6H,7H2,(H,20,22)
InChIKeyMPEKIJPUWLGRID-UHFFFAOYSA-N
MW350.71 g/mol
LogP2.85
Rot. Bonds3

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

2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2,4-difluorophenyl)acetamide (PubChem CID 113201414) has the molecular formula C16H9ClF2N2O3 and a molecular weight of 350.71 g/mol. Its IUPAC name is 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2,4-difluorophenyl)acetamide
PubChem CID113201414
Molecular FormulaC16H9ClF2N2O3
Molecular Weight350.71 g/mol
Exact Mass350.03
IUPAC Name2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CN1C(=O)c2cccc(Cl)c2C1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H9ClF2N2O3/c17-10-3-1-2-9-14(10)16(24)21(15(9)23)7-13(22)20-12-5-4-8(18)6-11(12)19/h1-6H,7H2,(H,20,22)
InChIKeyMPEKIJPUWLGRID-UHFFFAOYSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.71
LogP ≤ 52.85
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-(2,4-difluorophenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 2634629
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-chlorophenyl)acetamide
CID 113201368
N-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2711737
N-(2,5-dichlorophenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201778
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)acetamide
CID 113201371
N-(4-chloro-2-methylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201722
N-(4-bromo-2-fluorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 16552792
2-[5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4-difluorophenyl)acetamide
CID 3549615
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 884604
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-propylacetamide
CID 113201263
2-(4-chloro-1,3-dioxoisoindol-2-yl)acetic acid
CID 117031849
N-(2-chloro-4,6-dimethylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201725

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2,4-difluorophenyl)acetamide (CID 113201414) is 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2,4-difluorophenyl)acetamide is O=C(CN1C(=O)c2cccc(Cl)c2C1=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2,4-difluorophenyl)acetamide?
The InChIKey is MPEKIJPUWLGRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2N2O3/c17-10-3-1-2-9-14(10)16(24)21(15(9)23)7-13(22)20-12-5-4-8(18)6-11(12)19/h1-6H,7H2,(H,20,22).
What are the key properties of 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2,4-difluorophenyl)acetamide?
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2,4-difluorophenyl)acetamide has a molecular weight of 350.71 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 113201414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).