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

C16H13FN2O2 — CID 62135589

IUPAC4-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione
SMILESCc1cc(F)ccc1CN1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C16H13FN2O2/c1-9-7-11(17)6-5-10(9)8-19-15(20)12-3-2-4-13(18)14(12)16(19)21/h2-7H,8,18H2,1H3
InChIKeyJVTCJFIFZPGSOL-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.51
Rot. Bonds2

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

4-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione (PubChem CID 62135589) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 4-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione
PubChem CID62135589
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name4-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione
SMILESCc1cc(F)ccc1CN1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C16H13FN2O2/c1-9-7-11(17)6-5-10(9)8-19-15(20)12-3-2-4-13(18)14(12)16(19)21/h2-7H,8,18H2,1H3
InChIKeyJVTCJFIFZPGSOL-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

5-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione
CID 114345879
4-amino-2-[(3-methyl-4-pyridinyl)methyl]isoindole-1,3-dione
CID 114700741
4-amino-2-[(3-fluoro-4-methylphenyl)methyl]isoindole-1,3-dione
CID 63644863
2-[(2,5-difluorophenyl)methyl]-4-iodoisoindole-1,3-dione
CID 79782206
4-amino-2-(2,5-difluorophenyl)isoindole-1,3-dione
CID 28773083
2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione
CID 5094148
2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione
CID 107347604
4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione
CID 850937
5-amino-2-[(5-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione
CID 105371505
2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2773635
4-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 67482283
2-[(2-chloro-4-fluorophenyl)methyl]-4-nitroisoindole-1,3-dione
CID 2460910

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 4-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione (CID 62135589) is 4-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione is Cc1cc(F)ccc1CN1C(=O)c2cccc(N)c2C1=O.
What is the InChIKey of 4-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione?
The InChIKey is JVTCJFIFZPGSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-9-7-11(17)6-5-10(9)8-19-15(20)12-3-2-4-13(18)14(12)16(19)21/h2-7H,8,18H2,1H3.
What are the key properties of 4-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione?
4-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 4-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 62135589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).