N-[4-[4-hydroxy-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]phenyl]acetamide

C19H13F3N2O4 — CID 110581405

IUPACN-[4-[4-hydroxy-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(O)C(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1
InChIInChI=1S/C19H13F3N2O4/c1-10(25)23-13-6-2-11(3-7-13)15-16(26)18(28)24(17(15)27)14-8-4-12(5-9-14)19(20,21)22/h2-9,26H,1H3,(H,23,25)
InChIKeyWFDUCPWBFDUKSR-UHFFFAOYSA-N
MW390.32 g/mol
LogP3.51
Rot. Bonds3

About N-[4-[4-hydroxy-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]phenyl]acetamide

N-[4-[4-hydroxy-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]phenyl]acetamide (PubChem CID 110581405) has the molecular formula C19H13F3N2O4 and a molecular weight of 390.32 g/mol. Its IUPAC name is N-[4-[4-hydroxy-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-hydroxy-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]phenyl]acetamide
PubChem CID110581405
Molecular FormulaC19H13F3N2O4
Molecular Weight390.32 g/mol
Exact Mass390.08
IUPAC NameN-[4-[4-hydroxy-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(O)C(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1
InChIInChI=1S/C19H13F3N2O4/c1-10(25)23-13-6-2-11(3-7-13)15-16(26)18(28)24(17(15)27)14-8-4-12(5-9-14)19(20,21)22/h2-9,26H,1H3,(H,23,25)
InChIKeyWFDUCPWBFDUKSR-UHFFFAOYSA-N
XLogP3.51
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[4-hydroxy-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-hydroxy-2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrol-3-yl]phenyl]acetamide
CID 110581400
N-[4-[3-hydroxy-4-(4-methoxyphenyl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110580988
N-[4-[1-(3-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110581350
N-[4-[1-(3-chlorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110581375
3-hydroxy-4-[4-(2-methylpropoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110584809
N-[4-[3-(4-fluoroanilino)-4-(4-fluorophenyl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110587150
N-[4-[4-hydroxy-2,5-dioxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]phenyl]acetamide
CID 110581286
N-[4-[2,5-dioxo-1-phenyl-4-[3-(trifluoromethyl)anilino]pyrrol-3-yl]phenyl]acetamide
CID 110596724
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
N-[4-[3-ethylsulfanyl-4-(4-fluorophenyl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110545389
N-[4-[1-(4-methylphenyl)-2,5-dioxo-4-propan-2-ylsulfanylpyrrol-3-yl]phenyl]acetamide
CID 110563563
N-[4-[4-chloro-1-(3,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110583595

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-hydroxy-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-hydroxy-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]phenyl]acetamide (CID 110581405) is N-[4-[4-hydroxy-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-hydroxy-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-hydroxy-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2=C(O)C(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1.
What is the InChIKey of N-[4-[4-hydroxy-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]phenyl]acetamide?
The InChIKey is WFDUCPWBFDUKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O4/c1-10(25)23-13-6-2-11(3-7-13)15-16(26)18(28)24(17(15)27)14-8-4-12(5-9-14)19(20,21)22/h2-9,26H,1H3,(H,23,25).
What are the key properties of N-[4-[4-hydroxy-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]phenyl]acetamide?
N-[4-[4-hydroxy-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]phenyl]acetamide has a molecular weight of 390.32 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-hydroxy-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110581405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).