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

C24H24F2N2O4 — CID 35683498

IUPAC2-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C24H24F2N2O4/c1-27(14-15-7-10-18(11-8-15)32-24(25)26)21(29)16-9-12-19-20(13-16)23(31)28(22(19)30)17-5-3-2-4-6-17/h7-13,17,24H,2-6,14H2,1H3
InChIKeyZHGKLUPASHQBEI-UHFFFAOYSA-N
MW442.46 g/mol
LogP4.49
Rot. Bonds6

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

2-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 35683498) has the molecular formula C24H24F2N2O4 and a molecular weight of 442.46 g/mol. Its IUPAC name is 2-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID35683498
Molecular FormulaC24H24F2N2O4
Molecular Weight442.46 g/mol
Exact Mass442.17
IUPAC Name2-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C24H24F2N2O4/c1-27(14-15-7-10-18(11-8-15)32-24(25)26)21(29)16-9-12-19-20(13-16)23(31)28(22(19)30)17-5-3-2-4-6-17/h7-13,17,24H,2-6,14H2,1H3
InChIKeyZHGKLUPASHQBEI-UHFFFAOYSA-N
XLogP4.49
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 54.49
H-Bond Donors ≤ 50
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]methyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide (CID 35683498) is 2-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.
What is the InChIKey of 2-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is ZHGKLUPASHQBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O4/c1-27(14-15-7-10-18(11-8-15)32-24(25)26)21(29)16-9-12-19-20(13-16)23(31)28(22(19)30)17-5-3-2-4-6-17/h7-13,17,24H,2-6,14H2,1H3.
What are the key properties of 2-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide?
2-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 442.46 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 35683498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).