[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[4-(trifluoromethoxy)phenyl]methyl]azanium

C19H18F3N2O4+ — CID 7320954

IUPAC[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[4-(trifluoromethoxy)phenyl]methyl]azanium
SMILESCOc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(OC(F)(F)F)cc3)C2=O)cc1
InChIInChI=1S/C19H17F3N2O4/c1-27-14-8-4-13(5-9-14)24-17(25)10-16(18(24)26)23-11-12-2-6-15(7-3-12)28-19(20,21)22/h2-9,16,23H,10-11H2,1H3/p+1/t16-/m1/s1
InChIKeyWVWDOQZRBLPCLS-MRXNPFEDSA-O
MW395.36 g/mol
LogP1.99
Rot. Bonds6

About [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[4-(trifluoromethoxy)phenyl]methyl]azanium

[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[4-(trifluoromethoxy)phenyl]methyl]azanium (PubChem CID 7320954) has the molecular formula C19H18F3N2O4+ and a molecular weight of 395.36 g/mol. Its IUPAC name is [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[4-(trifluoromethoxy)phenyl]methyl]azanium.

Molecular Properties

Compound Name[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[4-(trifluoromethoxy)phenyl]methyl]azanium
PubChem CID7320954
Molecular FormulaC19H18F3N2O4+
Molecular Weight395.36 g/mol
Exact Mass395.12
IUPAC Name[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[4-(trifluoromethoxy)phenyl]methyl]azanium
SMILESCOc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(OC(F)(F)F)cc3)C2=O)cc1
InChIInChI=1S/C19H17F3N2O4/c1-27-14-8-4-13(5-9-14)24-17(25)10-16(18(24)26)23-11-12-2-6-15(7-3-12)28-19(20,21)22/h2-9,16,23H,10-11H2,1H3/p+1/t16-/m1/s1
InChIKeyWVWDOQZRBLPCLS-MRXNPFEDSA-O
XLogP1.99
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 51.99
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 [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[4-(trifluoromethoxy)phenyl]methyl]azanium?
The IUPAC name of [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[4-(trifluoromethoxy)phenyl]methyl]azanium (CID 7320954) is [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[4-(trifluoromethoxy)phenyl]methyl]azanium.
What is the SMILES notation for [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[4-(trifluoromethoxy)phenyl]methyl]azanium?
The canonical SMILES for [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[4-(trifluoromethoxy)phenyl]methyl]azanium is COc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(OC(F)(F)F)cc3)C2=O)cc1.
What is the InChIKey of [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[4-(trifluoromethoxy)phenyl]methyl]azanium?
The InChIKey is WVWDOQZRBLPCLS-MRXNPFEDSA-O. The full InChI is InChI=1S/C19H17F3N2O4/c1-27-14-8-4-13(5-9-14)24-17(25)10-16(18(24)26)23-11-12-2-6-15(7-3-12)28-19(20,21)22/h2-9,16,23H,10-11H2,1H3/p+1/t16-/m1/s1.
What are the key properties of [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[4-(trifluoromethoxy)phenyl]methyl]azanium?
[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[4-(trifluoromethoxy)phenyl]methyl]azanium has a molecular weight of 395.36 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[4-(trifluoromethoxy)phenyl]methyl]azanium is sourced from PubChem (CID 7320954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).