N-[4-(difluoromethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide

C18H14F2N2O4 — CID 7941196

IUPACN-[4-(difluoromethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C18H14F2N2O4/c19-18(20)26-14-6-4-12(5-7-14)21-17(25)11-2-1-3-13(10-11)22-15(23)8-9-16(22)24/h1-7,10,18H,8-9H2,(H,21,25)
InChIKeyZGQOVCANUQKDBA-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.19
Rot. Bonds5

About N-[4-(difluoromethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide

N-[4-(difluoromethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 7941196) has the molecular formula C18H14F2N2O4 and a molecular weight of 360.32 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID7941196
Molecular FormulaC18H14F2N2O4
Molecular Weight360.32 g/mol
Exact Mass360.09
IUPAC NameN-[4-(difluoromethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C18H14F2N2O4/c19-18(20)26-14-6-4-12(5-7-14)21-17(25)11-2-1-3-13(10-11)22-15(23)8-9-16(22)24/h1-7,10,18H,8-9H2,(H,21,25)
InChIKeyZGQOVCANUQKDBA-UHFFFAOYSA-N
XLogP3.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.19
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]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 7941196) is N-[4-(difluoromethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide is O=C(Nc1ccc(OC(F)F)cc1)c1cccc(N2C(=O)CCC2=O)c1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is ZGQOVCANUQKDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O4/c19-18(20)26-14-6-4-12(5-7-14)21-17(25)11-2-1-3-13(10-11)22-15(23)8-9-16(22)24/h1-7,10,18H,8-9H2,(H,21,25).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
N-[4-(difluoromethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 360.32 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 7941196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).