2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)acetamide

C16H10BrFN2O3 — CID 42052502

IUPAC2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H10BrFN2O3/c17-9-1-6-12-13(7-9)16(23)20(15(12)22)8-14(21)19-11-4-2-10(18)3-5-11/h1-7H,8H2,(H,19,21)
InChIKeyWKKSNFQJDAZRCK-UHFFFAOYSA-N
MW377.17 g/mol
LogP2.82
Rot. Bonds3

About 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)acetamide

2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 42052502) has the molecular formula C16H10BrFN2O3 and a molecular weight of 377.17 g/mol. Its IUPAC name is 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)acetamide
PubChem CID42052502
Molecular FormulaC16H10BrFN2O3
Molecular Weight377.17 g/mol
Exact Mass375.99
IUPAC Name2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H10BrFN2O3/c17-9-1-6-12-13(7-9)16(23)20(15(12)22)8-14(21)19-11-4-2-10(18)3-5-11/h1-7H,8H2,(H,19,21)
InChIKeyWKKSNFQJDAZRCK-UHFFFAOYSA-N
XLogP2.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.17
LogP ≤ 52.82
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

2-[(3E)-3-(2-amino-4-oxo-1,3-thiazol-5-ylidene)-5-bromo-2-oxoindol-1-yl]-N-(4-fluorophenyl)acetamide
CID 50741336
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-tert-butylacetamide
CID 86978677
N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2989674
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 30433144
5-bromo-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110839302
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 108933151
5-bromo-2-(2-oxopropyl)isoindole-1,3-dione
CID 71186577
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 27539267
2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-fluorophenyl)acetamide
CID 113201904
N-(4-bromo-2-fluorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 16552792
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113201563
sodium 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate
CID 19205606

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)acetamide (CID 42052502) is 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)acetamide is O=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is WKKSNFQJDAZRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN2O3/c17-9-1-6-12-13(7-9)16(23)20(15(12)22)8-14(21)19-11-4-2-10(18)3-5-11/h1-7H,8H2,(H,19,21).
What are the key properties of 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)acetamide?
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 377.17 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 42052502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).