2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide

C14H13F3N2O3 — CID 127043901

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(C(F)(F)F)cc1)N1C(=O)CCC1=O
InChIInChI=1S/C14H13F3N2O3/c1-8(19-11(20)6-7-12(19)21)13(22)18-10-4-2-9(3-5-10)14(15,16)17/h2-5,8H,6-7H2,1H3,(H,18,22)
InChIKeyNQJWRRBHOOACJQ-UHFFFAOYSA-N
MW314.26 g/mol
LogP2.18
Rot. Bonds3

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 127043901) has the molecular formula C14H13F3N2O3 and a molecular weight of 314.26 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID127043901
Molecular FormulaC14H13F3N2O3
Molecular Weight314.26 g/mol
Exact Mass314.09
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(C(F)(F)F)cc1)N1C(=O)CCC1=O
InChIInChI=1S/C14H13F3N2O3/c1-8(19-11(20)6-7-12(19)21)13(22)18-10-4-2-9(3-5-10)14(15,16)17/h2-5,8H,6-7H2,1H3,(H,18,22)
InChIKeyNQJWRRBHOOACJQ-UHFFFAOYSA-N
XLogP2.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 51108589
(2R)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685800
(2S)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685798
1-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 135144208
(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(3-fluorophenyl)propanamide
CID 17034808
(2R)-2-(3-oxopiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8516481
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 111114019
(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8967599
2-(dimethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 17496516
(2S)-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 95665678
(2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-fluoro-N-[4-(trifluoromethyl)phenyl]butanamide
CID 122378062
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8725348

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide (CID 127043901) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide is CC(C(=O)Nc1ccc(C(F)(F)F)cc1)N1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is NQJWRRBHOOACJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3/c1-8(19-11(20)6-7-12(19)21)13(22)18-10-4-2-9(3-5-10)14(15,16)17/h2-5,8H,6-7H2,1H3,(H,18,22).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 314.26 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 127043901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).