2-cyclohexyl-N-[4-(difluoromethoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide

C22H20F2N2O4 — CID 8502606

IUPAC2-cyclohexyl-N-[4-(difluoromethoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C22H20F2N2O4/c23-22(24)30-16-9-7-14(8-10-16)25-19(27)13-6-11-17-18(12-13)21(29)26(20(17)28)15-4-2-1-3-5-15/h6-12,15,22H,1-5H2,(H,25,27)
InChIKeyDVGCWHIMSLVENQ-UHFFFAOYSA-N
MW414.41 g/mol
LogP4.47
Rot. Bonds5

About 2-cyclohexyl-N-[4-(difluoromethoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide

2-cyclohexyl-N-[4-(difluoromethoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 8502606) has the molecular formula C22H20F2N2O4 and a molecular weight of 414.41 g/mol. Its IUPAC name is 2-cyclohexyl-N-[4-(difluoromethoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[4-(difluoromethoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID8502606
Molecular FormulaC22H20F2N2O4
Molecular Weight414.41 g/mol
Exact Mass414.14
IUPAC Name2-cyclohexyl-N-[4-(difluoromethoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C22H20F2N2O4/c23-22(24)30-16-9-7-14(8-10-16)25-19(27)13-6-11-17-18(12-13)21(29)26(20(17)28)15-4-2-1-3-5-15/h6-12,15,22H,1-5H2,(H,25,27)
InChIKeyDVGCWHIMSLVENQ-UHFFFAOYSA-N
XLogP4.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[4-(difluoromethoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-cyclohexyl-N-[4-(difluoromethoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide (CID 8502606) is 2-cyclohexyl-N-[4-(difluoromethoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-[4-(difluoromethoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-[4-(difluoromethoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide is O=C(Nc1ccc(OC(F)F)cc1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.
What is the InChIKey of 2-cyclohexyl-N-[4-(difluoromethoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is DVGCWHIMSLVENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O4/c23-22(24)30-16-9-7-14(8-10-16)25-19(27)13-6-11-17-18(12-13)21(29)26(20(17)28)15-4-2-1-3-5-15/h6-12,15,22H,1-5H2,(H,25,27).
What are the key properties of 2-cyclohexyl-N-[4-(difluoromethoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide?
2-cyclohexyl-N-[4-(difluoromethoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 414.41 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[4-(difluoromethoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 8502606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).