5-amino-2-[(2-chloro-5-fluorophenyl)methyl]isoindole-1,3-dione

C15H10ClFN2O2 — CID 102616030

IUPAC5-amino-2-[(2-chloro-5-fluorophenyl)methyl]isoindole-1,3-dione
SMILESNc1ccc2c(c1)C(=O)N(Cc1cc(F)ccc1Cl)C2=O
InChIInChI=1S/C15H10ClFN2O2/c16-13-4-1-9(17)5-8(13)7-19-14(20)11-3-2-10(18)6-12(11)15(19)21/h1-6H,7,18H2
InChIKeyNDVJYICBJZODLV-UHFFFAOYSA-N
MW304.71 g/mol
LogP2.86
Rot. Bonds2

About 5-amino-2-[(2-chloro-5-fluorophenyl)methyl]isoindole-1,3-dione

5-amino-2-[(2-chloro-5-fluorophenyl)methyl]isoindole-1,3-dione (PubChem CID 102616030) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is 5-amino-2-[(2-chloro-5-fluorophenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-[(2-chloro-5-fluorophenyl)methyl]isoindole-1,3-dione
PubChem CID102616030
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC Name5-amino-2-[(2-chloro-5-fluorophenyl)methyl]isoindole-1,3-dione
SMILESNc1ccc2c(c1)C(=O)N(Cc1cc(F)ccc1Cl)C2=O
InChIInChI=1S/C15H10ClFN2O2/c16-13-4-1-9(17)5-8(13)7-19-14(20)11-3-2-10(18)6-12(11)15(19)21/h1-6H,7,18H2
InChIKeyNDVJYICBJZODLV-UHFFFAOYSA-N
XLogP2.86
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 52.86
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

2-[(2-chloro-5-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione
CID 102621745
5-amino-2-[(5-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione
CID 105371505
5-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione
CID 114345879
2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2773635
7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole-2,3-dione
CID 102616452
1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole-2,3-dione
CID 102616446
4-chloro-3-[(6-fluoroindol-1-yl)methyl]aniline
CID 43169100
5-amino-2-(4-fluorophenyl)isoindole-1,3-dione
CID 28773111
5-amino-2-[(4-ethenylphenyl)methyl]isoindole-1,3-dione
CID 139686525
2-[(4-amino-2-bromophenyl)methyl]-5-bromoisoindole-1,3-dione
CID 106674615
5-amino-2-(2-aminoethyl)isoindole-1,3-dione
CID 82506823
1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-3-amine
CID 102616038

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-chloro-5-fluorophenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 5-amino-2-[(2-chloro-5-fluorophenyl)methyl]isoindole-1,3-dione (CID 102616030) is 5-amino-2-[(2-chloro-5-fluorophenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-[(2-chloro-5-fluorophenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 5-amino-2-[(2-chloro-5-fluorophenyl)methyl]isoindole-1,3-dione is Nc1ccc2c(c1)C(=O)N(Cc1cc(F)ccc1Cl)C2=O.
What is the InChIKey of 5-amino-2-[(2-chloro-5-fluorophenyl)methyl]isoindole-1,3-dione?
The InChIKey is NDVJYICBJZODLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c16-13-4-1-9(17)5-8(13)7-19-14(20)11-3-2-10(18)6-12(11)15(19)21/h1-6H,7,18H2.
What are the key properties of 5-amino-2-[(2-chloro-5-fluorophenyl)methyl]isoindole-1,3-dione?
5-amino-2-[(2-chloro-5-fluorophenyl)methyl]isoindole-1,3-dione has a molecular weight of 304.71 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-chloro-5-fluorophenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 102616030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).