2-[(3R)-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C19H14F4N2O4 — CID 98210814

IUPAC2-[(3R)-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CN1C(=O)C[C@H](c2ccccc2F)C1=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H14F4N2O4/c20-15-4-2-1-3-13(15)14-9-17(27)25(18(14)28)10-16(26)24-11-5-7-12(8-6-11)29-19(21,22)23/h1-8,14H,9-10H2,(H,24,26)/t14-/m1/s1
InChIKeyOZOSXDMZZAHMAH-CQSZACIVSA-N
MW410.32 g/mol
LogP3.21
Rot. Bonds5

About 2-[(3R)-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[(3R)-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 98210814) has the molecular formula C19H14F4N2O4 and a molecular weight of 410.32 g/mol. Its IUPAC name is 2-[(3R)-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID98210814
Molecular FormulaC19H14F4N2O4
Molecular Weight410.32 g/mol
Exact Mass410.09
IUPAC Name2-[(3R)-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CN1C(=O)C[C@H](c2ccccc2F)C1=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H14F4N2O4/c20-15-4-2-1-3-13(15)14-9-17(27)25(18(14)28)10-16(26)24-11-5-7-12(8-6-11)29-19(21,22)23/h1-8,14H,9-10H2,(H,24,26)/t14-/m1/s1
InChIKeyOZOSXDMZZAHMAH-CQSZACIVSA-N
XLogP3.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 53.21
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

2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711309
2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2148419
2-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 51195005
2-[(1R,2S,6S,7S,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 98113859
2-[(1R,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 98113857
2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2148334
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29166416
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711300
3-(2-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 16567888
2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-(4-methoxyphenyl)acetamide
CID 1472554
2-[4-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29164788
N'-[4-(trifluoromethoxy)phenyl]propanediamide
CID 140529911

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[(3R)-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 98210814) is 2-[(3R)-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(3R)-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(3R)-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(CN1C(=O)C[C@H](c2ccccc2F)C1=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[(3R)-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is OZOSXDMZZAHMAH-CQSZACIVSA-N. The full InChI is InChI=1S/C19H14F4N2O4/c20-15-4-2-1-3-13(15)14-9-17(27)25(18(14)28)10-16(26)24-11-5-7-12(8-6-11)29-19(21,22)23/h1-8,14H,9-10H2,(H,24,26)/t14-/m1/s1.
What are the key properties of 2-[(3R)-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[(3R)-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 410.32 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 98210814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).