5-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione

C16H13FN2O2 — CID 114345879

IUPAC5-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione
SMILESCc1cc(F)ccc1CN1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C16H13FN2O2/c1-9-6-11(17)3-2-10(9)8-19-15(20)13-5-4-12(18)7-14(13)16(19)21/h2-7H,8,18H2,1H3
InChIKeyMOKWQZIMIHEEHX-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.51
Rot. Bonds2

About 5-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione

5-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione (PubChem CID 114345879) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione
PubChem CID114345879
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name5-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione
SMILESCc1cc(F)ccc1CN1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C16H13FN2O2/c1-9-6-11(17)3-2-10(9)8-19-15(20)13-5-4-12(18)7-14(13)16(19)21/h2-7H,8,18H2,1H3
InChIKeyMOKWQZIMIHEEHX-UHFFFAOYSA-N
XLogP2.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-Nitro-N-methylphthalimide
CID 92321
4-Aminophthalimide
CID 72915
5-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 726931
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-N-P-tolyl-acetamide
CID 344672
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
4-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 600596
Cgp53353
CID 6711154
2-[4-(dimethylamino)phenyl]-1H-isoindole-1,3(2H)-dione
CID 748674
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-phenylacetamide
CID 223985
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-methylphenyl)propanamide
CID 682204
N-(2,4-Dimethyl-phenyl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetamide
CID 2785144
3-[3-fluoro-4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]-1-(3-methylphenyl)urea
CID 5329899

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 5-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione (CID 114345879) is 5-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 5-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione is Cc1cc(F)ccc1CN1C(=O)c2ccc(N)cc2C1=O.
What is the InChIKey of 5-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione?
The InChIKey is MOKWQZIMIHEEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-9-6-11(17)3-2-10(9)8-19-15(20)13-5-4-12(18)7-14(13)16(19)21/h2-7H,8,18H2,1H3.
What are the key properties of 5-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione?
5-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione has a molecular weight of 284.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 114345879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).