4-amino-2-(2-chloro-4,6-difluorophenyl)isoindole-1,3-dione

C14H7ClF2N2O2 — CID 83073246

IUPAC4-amino-2-(2-chloro-4,6-difluorophenyl)isoindole-1,3-dione
SMILESNc1cccc2c1C(=O)N(c1c(F)cc(F)cc1Cl)C2=O
InChIInChI=1S/C14H7ClF2N2O2/c15-8-4-6(16)5-9(17)12(8)19-13(20)7-2-1-3-10(18)11(7)14(19)21/h1-5H,18H2
InChIKeyRCLOQFZMAQFMQT-UHFFFAOYSA-N
MW308.67 g/mol
LogP3.00
Rot. Bonds1

About 4-amino-2-(2-chloro-4,6-difluorophenyl)isoindole-1,3-dione

4-amino-2-(2-chloro-4,6-difluorophenyl)isoindole-1,3-dione (PubChem CID 83073246) has the molecular formula C14H7ClF2N2O2 and a molecular weight of 308.67 g/mol. Its IUPAC name is 4-amino-2-(2-chloro-4,6-difluorophenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-(2-chloro-4,6-difluorophenyl)isoindole-1,3-dione
PubChem CID83073246
Molecular FormulaC14H7ClF2N2O2
Molecular Weight308.67 g/mol
Exact Mass308.02
IUPAC Name4-amino-2-(2-chloro-4,6-difluorophenyl)isoindole-1,3-dione
SMILESNc1cccc2c1C(=O)N(c1c(F)cc(F)cc1Cl)C2=O
InChIInChI=1S/C14H7ClF2N2O2/c15-8-4-6(16)5-9(17)12(8)19-13(20)7-2-1-3-10(18)11(7)14(19)21/h1-5H,18H2
InChIKeyRCLOQFZMAQFMQT-UHFFFAOYSA-N
XLogP3.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.67
LogP ≤ 53.00
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 4-amino-2-(2-chloro-4,6-difluorophenyl)isoindole-1,3-dione?
The IUPAC name of 4-amino-2-(2-chloro-4,6-difluorophenyl)isoindole-1,3-dione (CID 83073246) is 4-amino-2-(2-chloro-4,6-difluorophenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-(2-chloro-4,6-difluorophenyl)isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-(2-chloro-4,6-difluorophenyl)isoindole-1,3-dione is Nc1cccc2c1C(=O)N(c1c(F)cc(F)cc1Cl)C2=O.
What is the InChIKey of 4-amino-2-(2-chloro-4,6-difluorophenyl)isoindole-1,3-dione?
The InChIKey is RCLOQFZMAQFMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF2N2O2/c15-8-4-6(16)5-9(17)12(8)19-13(20)7-2-1-3-10(18)11(7)14(19)21/h1-5H,18H2.
What are the key properties of 4-amino-2-(2-chloro-4,6-difluorophenyl)isoindole-1,3-dione?
4-amino-2-(2-chloro-4,6-difluorophenyl)isoindole-1,3-dione has a molecular weight of 308.67 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-chloro-4,6-difluorophenyl)isoindole-1,3-dione is sourced from PubChem (CID 83073246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).