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

C16H13FN2O2 — CID 105371505

IUPAC5-amino-2-[(5-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione
SMILESCc1ccc(F)cc1CN1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C16H13FN2O2/c1-9-2-3-11(17)6-10(9)8-19-15(20)13-5-4-12(18)7-14(13)16(19)21/h2-7H,8,18H2,1H3
InChIKeyGMRJCIHKWKSTEF-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.51
Rot. Bonds2

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

5-amino-2-[(5-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione (PubChem CID 105371505) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-amino-2-[(5-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-[(5-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione
PubChem CID105371505
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name5-amino-2-[(5-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione
SMILESCc1ccc(F)cc1CN1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C16H13FN2O2/c1-9-2-3-11(17)6-10(9)8-19-15(20)13-5-4-12(18)7-14(13)16(19)21/h2-7H,8,18H2,1H3
InChIKeyGMRJCIHKWKSTEF-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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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(5-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 5-amino-2-[(5-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione (CID 105371505) is 5-amino-2-[(5-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-[(5-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 5-amino-2-[(5-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione is Cc1ccc(F)cc1CN1C(=O)c2ccc(N)cc2C1=O.
What is the InChIKey of 5-amino-2-[(5-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione?
The InChIKey is GMRJCIHKWKSTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-9-2-3-11(17)6-10(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-[(5-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione?
5-amino-2-[(5-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-[(5-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 105371505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).