N-[4-(difluoromethoxy)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide

C24H18F2N2O4 — CID 34033080

IUPACN-[4-(difluoromethoxy)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O
InChIInChI=1S/C24H18F2N2O4/c25-24(26)32-18-9-7-17(8-10-18)27-21(29)16-6-11-19-20(14-16)23(31)28(22(19)30)13-12-15-4-2-1-3-5-15/h1-11,14,24H,12-13H2,(H,27,29)
InChIKeyDRFZYLPSLKFIBP-UHFFFAOYSA-N
MW436.41 g/mol
LogP4.38
Rot. Bonds7

About N-[4-(difluoromethoxy)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide

N-[4-(difluoromethoxy)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide (PubChem CID 34033080) has the molecular formula C24H18F2N2O4 and a molecular weight of 436.41 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
PubChem CID34033080
Molecular FormulaC24H18F2N2O4
Molecular Weight436.41 g/mol
Exact Mass436.12
IUPAC NameN-[4-(difluoromethoxy)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O
InChIInChI=1S/C24H18F2N2O4/c25-24(26)32-18-9-7-17(8-10-18)27-21(29)16-6-11-19-20(14-16)23(31)28(22(19)30)13-12-15-4-2-1-3-5-15/h1-11,14,24H,12-13H2,(H,27,29)
InChIKeyDRFZYLPSLKFIBP-UHFFFAOYSA-N
XLogP4.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 27648770
N-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 55905919
2-cyclohexyl-N-[4-(difluoromethoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 8502606
propan-2-yl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate
CID 27000100
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
N-(3-hydroxypropyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 78795995
N-(3-methyl-2-pyridinyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 35032203
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 35385832
1,3-dioxo-2-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 108769722
2-oxopropyl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate
CID 2484796
N-[2-(dimethylamino)-2-oxoethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 26442861
N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502657

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide (CID 34033080) is N-[4-(difluoromethoxy)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide is O=C(Nc1ccc(OC(F)F)cc1)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide?
The InChIKey is DRFZYLPSLKFIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O4/c25-24(26)32-18-9-7-17(8-10-18)27-21(29)16-6-11-19-20(14-16)23(31)28(22(19)30)13-12-15-4-2-1-3-5-15/h1-11,14,24H,12-13H2,(H,27,29).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide?
N-[4-(difluoromethoxy)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide has a molecular weight of 436.41 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide is sourced from PubChem (CID 34033080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).