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

C25H20F2N2O4 — CID 55368512

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(C)c(N2C(=O)c3ccc(C(=O)NCc4ccc(OC(F)F)cc4)cc3C2=O)c1
InChIInChI=1S/C25H20F2N2O4/c1-14-3-4-15(2)21(11-14)29-23(31)19-10-7-17(12-20(19)24(29)32)22(30)28-13-16-5-8-18(9-6-16)33-25(26)27/h3-12,25H,13H2,1-2H3,(H,28,30)
InChIKeyMRLATCJSDWNUDA-UHFFFAOYSA-N
MW450.44 g/mol
LogP4.64
Rot. Bonds6

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

N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 55368512) has the molecular formula C25H20F2N2O4 and a molecular weight of 450.44 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID55368512
Molecular FormulaC25H20F2N2O4
Molecular Weight450.44 g/mol
Exact Mass450.14
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(C)c(N2C(=O)c3ccc(C(=O)NCc4ccc(OC(F)F)cc4)cc3C2=O)c1
InChIInChI=1S/C25H20F2N2O4/c1-14-3-4-15(2)21(11-14)29-23(31)19-10-7-17(12-20(19)24(29)32)22(30)28-13-16-5-8-18(9-6-16)33-25(26)27/h3-12,25H,13H2,1-2H3,(H,28,30)
InChIKeyMRLATCJSDWNUDA-UHFFFAOYSA-N
XLogP4.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.44
LogP ≤ 54.64
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 N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 55368512) is N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide is Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)NCc4ccc(OC(F)F)cc4)cc3C2=O)c1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is MRLATCJSDWNUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O4/c1-14-3-4-15(2)21(11-14)29-23(31)19-10-7-17(12-20(19)24(29)32)22(30)28-13-16-5-8-18(9-6-16)33-25(26)27/h3-12,25H,13H2,1-2H3,(H,28,30).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 450.44 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 55368512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).