2-cyclohexyl-N-(3-fluorophenyl)-3-oxo-1H-isoindole-4-carboxamide

C21H21FN2O2 — CID 15990932

IUPAC2-cyclohexyl-N-(3-fluorophenyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cccc2c1C(=O)N(C1CCCCC1)C2
InChIInChI=1S/C21H21FN2O2/c22-15-7-5-8-16(12-15)23-20(25)18-11-4-6-14-13-24(21(26)19(14)18)17-9-2-1-3-10-17/h4-8,11-12,17H,1-3,9-10,13H2,(H,23,25)
InChIKeyLZSPGHNYLVGCJU-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.37
Rot. Bonds3

About 2-cyclohexyl-N-(3-fluorophenyl)-3-oxo-1H-isoindole-4-carboxamide

2-cyclohexyl-N-(3-fluorophenyl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 15990932) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-cyclohexyl-N-(3-fluorophenyl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(3-fluorophenyl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID15990932
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name2-cyclohexyl-N-(3-fluorophenyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cccc2c1C(=O)N(C1CCCCC1)C2
InChIInChI=1S/C21H21FN2O2/c22-15-7-5-8-16(12-15)23-20(25)18-11-4-6-14-13-24(21(26)19(14)18)17-9-2-1-3-10-17/h4-8,11-12,17H,1-3,9-10,13H2,(H,23,25)
InChIKeyLZSPGHNYLVGCJU-UHFFFAOYSA-N
XLogP4.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(3-fluorophenyl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of 2-cyclohexyl-N-(3-fluorophenyl)-3-oxo-1H-isoindole-4-carboxamide (CID 15990932) is 2-cyclohexyl-N-(3-fluorophenyl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-(3-fluorophenyl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-(3-fluorophenyl)-3-oxo-1H-isoindole-4-carboxamide is O=C(Nc1cccc(F)c1)c1cccc2c1C(=O)N(C1CCCCC1)C2.
What is the InChIKey of 2-cyclohexyl-N-(3-fluorophenyl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is LZSPGHNYLVGCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c22-15-7-5-8-16(12-15)23-20(25)18-11-4-6-14-13-24(21(26)19(14)18)17-9-2-1-3-10-17/h4-8,11-12,17H,1-3,9-10,13H2,(H,23,25).
What are the key properties of 2-cyclohexyl-N-(3-fluorophenyl)-3-oxo-1H-isoindole-4-carboxamide?
2-cyclohexyl-N-(3-fluorophenyl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(3-fluorophenyl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 15990932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).