N-[2-fluoro-5-[4-(trifluoromethoxy)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

C19H16F4N2O4 — CID 166073681

IUPACN-[2-fluoro-5-[4-(trifluoromethoxy)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CCC1C(=O)Nc1cc(Oc2ccc(OC(F)(F)F)cc2)ccc1F
InChIInChI=1S/C19H16F4N2O4/c1-25-16(8-9-17(25)26)18(27)24-15-10-13(6-7-14(15)20)28-11-2-4-12(5-3-11)29-19(21,22)23/h2-7,10,16H,8-9H2,1H3,(H,24,27)
InChIKeyKNQLUDWXSSKPRH-UHFFFAOYSA-N
MW412.34 g/mol
LogP4.08
Rot. Bonds5

About N-[2-fluoro-5-[4-(trifluoromethoxy)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

N-[2-fluoro-5-[4-(trifluoromethoxy)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 166073681) has the molecular formula C19H16F4N2O4 and a molecular weight of 412.34 g/mol. Its IUPAC name is N-[2-fluoro-5-[4-(trifluoromethoxy)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[4-(trifluoromethoxy)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID166073681
Molecular FormulaC19H16F4N2O4
Molecular Weight412.34 g/mol
Exact Mass412.10
IUPAC NameN-[2-fluoro-5-[4-(trifluoromethoxy)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CCC1C(=O)Nc1cc(Oc2ccc(OC(F)(F)F)cc2)ccc1F
InChIInChI=1S/C19H16F4N2O4/c1-25-16(8-9-17(25)26)18(27)24-15-10-13(6-7-14(15)20)28-11-2-4-12(5-3-11)29-19(21,22)23/h2-7,10,16H,8-9H2,1H3,(H,24,27)
InChIKeyKNQLUDWXSSKPRH-UHFFFAOYSA-N
XLogP4.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[4-(trifluoromethoxy)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-fluoro-5-[4-(trifluoromethoxy)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 166073681) is N-[2-fluoro-5-[4-(trifluoromethoxy)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-[4-(trifluoromethoxy)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-fluoro-5-[4-(trifluoromethoxy)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is CN1C(=O)CCC1C(=O)Nc1cc(Oc2ccc(OC(F)(F)F)cc2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-[4-(trifluoromethoxy)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is KNQLUDWXSSKPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N2O4/c1-25-16(8-9-17(25)26)18(27)24-15-10-13(6-7-14(15)20)28-11-2-4-12(5-3-11)29-19(21,22)23/h2-7,10,16H,8-9H2,1H3,(H,24,27).
What are the key properties of N-[2-fluoro-5-[4-(trifluoromethoxy)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
N-[2-fluoro-5-[4-(trifluoromethoxy)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 412.34 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[4-(trifluoromethoxy)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 166073681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).